8-[(4-hydroxyphenyl)methyl]-5,7-dimethoxy-9,10-dihydrophenanthren-2-ol

C23H22O4 — CID 10737359

IUPAC8-[(4-hydroxyphenyl)methyl]-5,7-dimethoxy-9,10-dihydrophenanthren-2-ol
SMILESCOc1cc(OC)c2c(c1Cc1ccc(O)cc1)CCc1cc(O)ccc1-2
InChIInChI=1S/C23H22O4/c1-26-21-13-22(27-2)23-18-10-8-17(25)12-15(18)5-9-19(23)20(21)11-14-3-6-16(24)7-4-14/h3-4,6-8,10,12-13,24-25H,5,9,11H2,1-2H3
InChIKeyGNRQSQCPDZCLSO-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.47
Rot. Bonds4

About 8-[(4-hydroxyphenyl)methyl]-5,7-dimethoxy-9,10-dihydrophenanthren-2-ol

8-[(4-hydroxyphenyl)methyl]-5,7-dimethoxy-9,10-dihydrophenanthren-2-ol (PubChem CID 10737359) has the molecular formula C23H22O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 8-[(4-hydroxyphenyl)methyl]-5,7-dimethoxy-9,10-dihydrophenanthren-2-ol.

Molecular Properties

Compound Name8-[(4-hydroxyphenyl)methyl]-5,7-dimethoxy-9,10-dihydrophenanthren-2-ol
PubChem CID10737359
Molecular FormulaC23H22O4
Molecular Weight362.43 g/mol
Exact Mass362.15
IUPAC Name8-[(4-hydroxyphenyl)methyl]-5,7-dimethoxy-9,10-dihydrophenanthren-2-ol
SMILESCOc1cc(OC)c2c(c1Cc1ccc(O)cc1)CCc1cc(O)ccc1-2
InChIInChI=1S/C23H22O4/c1-26-21-13-22(27-2)23-18-10-8-17(25)12-15(18)5-9-19(23)20(21)11-14-3-6-16(24)7-4-14/h3-4,6-8,10,12-13,24-25H,5,9,11H2,1-2H3
InChIKeyGNRQSQCPDZCLSO-UHFFFAOYSA-N
XLogP4.47
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-hydroxyphenyl)methyl]-5,7-dimethoxy-9,10-dihydrophenanthren-2-ol?
The IUPAC name of 8-[(4-hydroxyphenyl)methyl]-5,7-dimethoxy-9,10-dihydrophenanthren-2-ol (CID 10737359) is 8-[(4-hydroxyphenyl)methyl]-5,7-dimethoxy-9,10-dihydrophenanthren-2-ol.
What is the SMILES notation for 8-[(4-hydroxyphenyl)methyl]-5,7-dimethoxy-9,10-dihydrophenanthren-2-ol?
The canonical SMILES for 8-[(4-hydroxyphenyl)methyl]-5,7-dimethoxy-9,10-dihydrophenanthren-2-ol is COc1cc(OC)c2c(c1Cc1ccc(O)cc1)CCc1cc(O)ccc1-2.
What is the InChIKey of 8-[(4-hydroxyphenyl)methyl]-5,7-dimethoxy-9,10-dihydrophenanthren-2-ol?
The InChIKey is GNRQSQCPDZCLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O4/c1-26-21-13-22(27-2)23-18-10-8-17(25)12-15(18)5-9-19(23)20(21)11-14-3-6-16(24)7-4-14/h3-4,6-8,10,12-13,24-25H,5,9,11H2,1-2H3.
What are the key properties of 8-[(4-hydroxyphenyl)methyl]-5,7-dimethoxy-9,10-dihydrophenanthren-2-ol?
8-[(4-hydroxyphenyl)methyl]-5,7-dimethoxy-9,10-dihydrophenanthren-2-ol has a molecular weight of 362.43 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-hydroxyphenyl)methyl]-5,7-dimethoxy-9,10-dihydrophenanthren-2-ol is sourced from PubChem (CID 10737359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).