13-methyl-4-phenyl-3-oxatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),12,14-hexaene

C22H18O — CID 102521732

IUPAC13-methyl-4-phenyl-3-oxatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),12,14-hexaene
SMILESCc1cccc2c1c1c(c3cc(-c4ccccc4)oc32)CCC1
InChIInChI=1S/C22H18O/c1-14-7-5-12-18-21(14)17-11-6-10-16(17)19-13-20(23-22(18)19)15-8-3-2-4-9-15/h2-5,7-9,12-13H,6,10-11H2,1H3
InChIKeyRCHZFZYFAPRBGC-UHFFFAOYSA-N
MW298.38 g/mol
LogP6.05
Rot. Bonds1

About 13-methyl-4-phenyl-3-oxatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),12,14-hexaene

13-methyl-4-phenyl-3-oxatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),12,14-hexaene (PubChem CID 102521732) has the molecular formula C22H18O and a molecular weight of 298.38 g/mol. Its IUPAC name is 13-methyl-4-phenyl-3-oxatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),12,14-hexaene.

Molecular Properties

Compound Name13-methyl-4-phenyl-3-oxatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),12,14-hexaene
PubChem CID102521732
Molecular FormulaC22H18O
Molecular Weight298.38 g/mol
Exact Mass298.14
IUPAC Name13-methyl-4-phenyl-3-oxatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),12,14-hexaene
SMILESCc1cccc2c1c1c(c3cc(-c4ccccc4)oc32)CCC1
InChIInChI=1S/C22H18O/c1-14-7-5-12-18-21(14)17-11-6-10-16(17)19-13-20(23-22(18)19)15-8-3-2-4-9-15/h2-5,7-9,12-13H,6,10-11H2,1H3
InChIKeyRCHZFZYFAPRBGC-UHFFFAOYSA-N
XLogP6.05
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.38
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 15629729
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CID 102106371
1,5-dimethyl-3-phenylnaphthalene
CID 171720915
4-[15-(4-methylphenyl)-9,20-diphenyl-3,8,16,21-tetraoxahexacyclo[10.10.0.02,6.07,11.013,17.018,22]docosa-1,4,6,9,11,13(17),14,18(22),19-nonaen-4-yl]-N,N-diphenylaniline
CID 160759964
5-methyl-4-oxo-2-phenylchromene-8-carboxylic acid
CID 172785985
8-methyl-6-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran
CID 130290646
4,9-diphenyl-2,3-dihydro-1H-cyclopenta[b]naphthalene
CID 91485242
5,6,7,8-tetrafluoro-2-phenylchromen-4-one
CID 91434765
4,7-dimethyl-5-phenyl-3,10-dioxatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),4,7,12(16)-pentaen-11-one
CID 707832
2-(4-hydroxyphenyl)-8-methylchromen-4-one
CID 24721527
8-benzyl-2-phenylchromen-4-one
CID 69123022
5-oxido-2-phenylfuro[3,2-c]quinolin-5-ium
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Frequently Asked Questions

What is the IUPAC name of 13-methyl-4-phenyl-3-oxatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),12,14-hexaene?
The IUPAC name of 13-methyl-4-phenyl-3-oxatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),12,14-hexaene (CID 102521732) is 13-methyl-4-phenyl-3-oxatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),12,14-hexaene.
What is the SMILES notation for 13-methyl-4-phenyl-3-oxatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),12,14-hexaene?
The canonical SMILES for 13-methyl-4-phenyl-3-oxatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),12,14-hexaene is Cc1cccc2c1c1c(c3cc(-c4ccccc4)oc32)CCC1.
What is the InChIKey of 13-methyl-4-phenyl-3-oxatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),12,14-hexaene?
The InChIKey is RCHZFZYFAPRBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O/c1-14-7-5-12-18-21(14)17-11-6-10-16(17)19-13-20(23-22(18)19)15-8-3-2-4-9-15/h2-5,7-9,12-13H,6,10-11H2,1H3.
What are the key properties of 13-methyl-4-phenyl-3-oxatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),12,14-hexaene?
13-methyl-4-phenyl-3-oxatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),12,14-hexaene has a molecular weight of 298.38 g/mol, XLogP of 6.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-4-phenyl-3-oxatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),12,14-hexaene is sourced from PubChem (CID 102521732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).