13-hydroxy-5,21-dimethoxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene

C22H17O5P — CID 90965651

IUPAC13-hydroxy-5,21-dimethoxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene
SMILESCOc1ccc2ccc3op(O)oc4ccc5ccc(OC)cc5c4c3c2c1
InChIInChI=1S/C22H17O5P/c1-24-15-7-3-13-5-9-19-21(17(13)11-15)22-18-12-16(25-2)8-4-14(18)6-10-20(22)27-28(23)26-19/h3-12,23H,1-2H3
InChIKeyOQEHAELNCLKBBY-UHFFFAOYSA-N
MW392.35 g/mol
LogP6.37
Rot. Bonds2

About 13-hydroxy-5,21-dimethoxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene

13-hydroxy-5,21-dimethoxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene (PubChem CID 90965651) has the molecular formula C22H17O5P and a molecular weight of 392.35 g/mol. Its IUPAC name is 13-hydroxy-5,21-dimethoxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene.

Molecular Properties

Compound Name13-hydroxy-5,21-dimethoxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene
PubChem CID90965651
Molecular FormulaC22H17O5P
Molecular Weight392.35 g/mol
Exact Mass392.08
IUPAC Name13-hydroxy-5,21-dimethoxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene
SMILESCOc1ccc2ccc3op(O)oc4ccc5ccc(OC)cc5c4c3c2c1
InChIInChI=1S/C22H17O5P/c1-24-15-7-3-13-5-9-19-21(17(13)11-15)22-18-12-16(25-2)8-4-14(18)6-10-20(22)27-28(23)26-19/h3-12,23H,1-2H3
InChIKeyOQEHAELNCLKBBY-UHFFFAOYSA-N
XLogP6.37
TPSA64.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.35
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 13-hydroxy-5,21-dimethoxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene with MolForge

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Related Compounds

5,21-diethoxy-N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaen-13-amine
CID 135010391
N-(4-methoxyphenyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine
CID 11690675
13-[2-[2-(2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-3,5,6-trimethylphenyl]-3,4,6-trimethylphenoxy]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 59931133
7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411039
(6-methoxy-2-benzofuran-1-yl)methanol
CID 56998706
2-methoxy-9-(trifluoromethyl)benzo[a]xanthen-12-one
CID 135196737
7-methoxy-1-(7-methoxy-2-methylnaphthalen-1-yl)-2-methylnaphthalene
CID 20715432
1-(7-methoxynaphthalen-1-yl)ethanamine
CID 20542005
N-[2-(8-methoxybenzo[e][1]benzofuran-1-yl)ethyl]cyclopropanecarboxamide
CID 127026426
9-methoxy-3-oxobenzo[f]chromene-2-carboxylic acid
CID 166609270
6-methoxy-10-methyl-12-oxa-9-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 170838380
methyl (2S)-2-[[2-(8-methoxybenzo[e][1]benzofuran-1-yl)acetyl]amino]propanoate
CID 102352082

Frequently Asked Questions

What is the IUPAC name of 13-hydroxy-5,21-dimethoxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene?
The IUPAC name of 13-hydroxy-5,21-dimethoxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene (CID 90965651) is 13-hydroxy-5,21-dimethoxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene.
What is the SMILES notation for 13-hydroxy-5,21-dimethoxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene?
The canonical SMILES for 13-hydroxy-5,21-dimethoxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene is COc1ccc2ccc3op(O)oc4ccc5ccc(OC)cc5c4c3c2c1.
What is the InChIKey of 13-hydroxy-5,21-dimethoxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene?
The InChIKey is OQEHAELNCLKBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17O5P/c1-24-15-7-3-13-5-9-19-21(17(13)11-15)22-18-12-16(25-2)8-4-14(18)6-10-20(22)27-28(23)26-19/h3-12,23H,1-2H3.
What are the key properties of 13-hydroxy-5,21-dimethoxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene?
13-hydroxy-5,21-dimethoxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene has a molecular weight of 392.35 g/mol, XLogP of 6.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-hydroxy-5,21-dimethoxy-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),4,6,9,16,18(23),19,21-decaene is sourced from PubChem (CID 90965651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).