1-chloro-5-methoxy-9H-xanthene

C14H11ClO2 — CID 14570239

IUPAC1-chloro-5-methoxy-9H-xanthene
SMILESCOc1cccc2c1Oc1cccc(Cl)c1C2
InChIInChI=1S/C14H11ClO2/c1-16-13-7-2-4-9-8-10-11(15)5-3-6-12(10)17-14(9)13/h2-7H,8H2,1H3
InChIKeyZKHTYBRWXHOPTB-UHFFFAOYSA-N
MW246.69 g/mol
LogP4.05
Rot. Bonds1

About 1-chloro-5-methoxy-9H-xanthene

1-chloro-5-methoxy-9H-xanthene (PubChem CID 14570239) has the molecular formula C14H11ClO2 and a molecular weight of 246.69 g/mol. Its IUPAC name is 1-chloro-5-methoxy-9H-xanthene.

Molecular Properties

Compound Name1-chloro-5-methoxy-9H-xanthene
PubChem CID14570239
Molecular FormulaC14H11ClO2
Molecular Weight246.69 g/mol
Exact Mass246.04
IUPAC Name1-chloro-5-methoxy-9H-xanthene
SMILESCOc1cccc2c1Oc1cccc(Cl)c1C2
InChIInChI=1S/C14H11ClO2/c1-16-13-7-2-4-9-8-10-11(15)5-3-6-12(10)17-14(9)13/h2-7H,8H2,1H3
InChIKeyZKHTYBRWXHOPTB-UHFFFAOYSA-N
XLogP4.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.69
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-3-methylsulfanyl-9H-xanthene
CID 23460520
1,4-dihydroxy-2,10-dimethoxy-6H-benzo[b][1]benzoxepin-5-one
CID 15512489
4,13,22-trimethoxyheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaene
CID 10694042
1,8-dimethoxy-9,10-dihydroanthracene
CID 12651974
2-(4,9-dimethoxy-5H-chromeno[2,3-d]pyrimidin-2-yl)phenol
CID 136861327
(3Z)-3-butylidene-8-methoxy-4H-chromen-2-one
CID 101133442
1-chloro-3,4,5-trimethoxy-9H-fluorene
CID 151569744
5-bromo-9H-xanthen-1-amine
CID 121395014
2-methoxy-9H-xanthene-1-carboxylic acid
CID 69170212
1-chloro-2-fluoro-3-methoxybenzene;methane
CID 142301090
1-chloro-2-methoxybenzene
CID 13011
2-(3,4-dimethoxyphenyl)-9-methoxy-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one
CID 22515993

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-methoxy-9H-xanthene?
The IUPAC name of 1-chloro-5-methoxy-9H-xanthene (CID 14570239) is 1-chloro-5-methoxy-9H-xanthene.
What is the SMILES notation for 1-chloro-5-methoxy-9H-xanthene?
The canonical SMILES for 1-chloro-5-methoxy-9H-xanthene is COc1cccc2c1Oc1cccc(Cl)c1C2.
What is the InChIKey of 1-chloro-5-methoxy-9H-xanthene?
The InChIKey is ZKHTYBRWXHOPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO2/c1-16-13-7-2-4-9-8-10-11(15)5-3-6-12(10)17-14(9)13/h2-7H,8H2,1H3.
What are the key properties of 1-chloro-5-methoxy-9H-xanthene?
1-chloro-5-methoxy-9H-xanthene has a molecular weight of 246.69 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-methoxy-9H-xanthene is sourced from PubChem (CID 14570239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).