7-[(4-hydroxyphenyl)methyl]-8-methoxy-2,2-dimethyl-5,6-dihydronaphtho[2,1-f]chromen-10-ol

C27H26O4 — CID 10621720

IUPAC7-[(4-hydroxyphenyl)methyl]-8-methoxy-2,2-dimethyl-5,6-dihydronaphtho[2,1-f]chromen-10-ol
SMILESCOc1cc(O)c2c(c1Cc1ccc(O)cc1)CCc1c-2ccc2c1C=CC(C)(C)O2
InChIInChI=1S/C27H26O4/c1-27(2)13-12-19-18-8-9-21-22(14-16-4-6-17(28)7-5-16)25(30-3)15-23(29)26(21)20(18)10-11-24(19)31-27/h4-7,10-13,15,28-29H,8-9,14H2,1-3H3
InChIKeyOBAJVJGJCGPZCJ-UHFFFAOYSA-N
MW414.50 g/mol
LogP5.65
Rot. Bonds3

About 7-[(4-hydroxyphenyl)methyl]-8-methoxy-2,2-dimethyl-5,6-dihydronaphtho[2,1-f]chromen-10-ol

7-[(4-hydroxyphenyl)methyl]-8-methoxy-2,2-dimethyl-5,6-dihydronaphtho[2,1-f]chromen-10-ol (PubChem CID 10621720) has the molecular formula C27H26O4 and a molecular weight of 414.50 g/mol. Its IUPAC name is 7-[(4-hydroxyphenyl)methyl]-8-methoxy-2,2-dimethyl-5,6-dihydronaphtho[2,1-f]chromen-10-ol.

Molecular Properties

Compound Name7-[(4-hydroxyphenyl)methyl]-8-methoxy-2,2-dimethyl-5,6-dihydronaphtho[2,1-f]chromen-10-ol
PubChem CID10621720
Molecular FormulaC27H26O4
Molecular Weight414.50 g/mol
Exact Mass414.18
IUPAC Name7-[(4-hydroxyphenyl)methyl]-8-methoxy-2,2-dimethyl-5,6-dihydronaphtho[2,1-f]chromen-10-ol
SMILESCOc1cc(O)c2c(c1Cc1ccc(O)cc1)CCc1c-2ccc2c1C=CC(C)(C)O2
InChIInChI=1S/C27H26O4/c1-27(2)13-12-19-18-8-9-21-22(14-16-4-6-17(28)7-5-16)25(30-3)15-23(29)26(21)20(18)10-11-24(19)31-27/h4-7,10-13,15,28-29H,8-9,14H2,1-3H3
InChIKeyOBAJVJGJCGPZCJ-UHFFFAOYSA-N
XLogP5.65
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.50
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-hydroxyphenyl)methyl]-8-methoxy-2,2-dimethyl-5,6-dihydronaphtho[2,1-f]chromen-10-ol?
The IUPAC name of 7-[(4-hydroxyphenyl)methyl]-8-methoxy-2,2-dimethyl-5,6-dihydronaphtho[2,1-f]chromen-10-ol (CID 10621720) is 7-[(4-hydroxyphenyl)methyl]-8-methoxy-2,2-dimethyl-5,6-dihydronaphtho[2,1-f]chromen-10-ol.
What is the SMILES notation for 7-[(4-hydroxyphenyl)methyl]-8-methoxy-2,2-dimethyl-5,6-dihydronaphtho[2,1-f]chromen-10-ol?
The canonical SMILES for 7-[(4-hydroxyphenyl)methyl]-8-methoxy-2,2-dimethyl-5,6-dihydronaphtho[2,1-f]chromen-10-ol is COc1cc(O)c2c(c1Cc1ccc(O)cc1)CCc1c-2ccc2c1C=CC(C)(C)O2.
What is the InChIKey of 7-[(4-hydroxyphenyl)methyl]-8-methoxy-2,2-dimethyl-5,6-dihydronaphtho[2,1-f]chromen-10-ol?
The InChIKey is OBAJVJGJCGPZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26O4/c1-27(2)13-12-19-18-8-9-21-22(14-16-4-6-17(28)7-5-16)25(30-3)15-23(29)26(21)20(18)10-11-24(19)31-27/h4-7,10-13,15,28-29H,8-9,14H2,1-3H3.
What are the key properties of 7-[(4-hydroxyphenyl)methyl]-8-methoxy-2,2-dimethyl-5,6-dihydronaphtho[2,1-f]chromen-10-ol?
7-[(4-hydroxyphenyl)methyl]-8-methoxy-2,2-dimethyl-5,6-dihydronaphtho[2,1-f]chromen-10-ol has a molecular weight of 414.50 g/mol, XLogP of 5.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-hydroxyphenyl)methyl]-8-methoxy-2,2-dimethyl-5,6-dihydronaphtho[2,1-f]chromen-10-ol is sourced from PubChem (CID 10621720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).