6-(4-hydroxyphenyl)-8-[(2-methoxyphenyl)methyl]-7-methyl-5,6,7,8-tetrahydronaphthalen-2-ol

C25H26O3 — CID 59498609

IUPAC6-(4-hydroxyphenyl)-8-[(2-methoxyphenyl)methyl]-7-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCOc1ccccc1CC1c2cc(O)ccc2CC(c2ccc(O)cc2)C1C
InChIInChI=1S/C25H26O3/c1-16-22(17-7-10-20(26)11-8-17)13-18-9-12-21(27)15-24(18)23(16)14-19-5-3-4-6-25(19)28-2/h3-12,15-16,22-23,26-27H,13-14H2,1-2H3
InChIKeyCVNGINJIPQOTMS-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.41
Rot. Bonds4

About 6-(4-hydroxyphenyl)-8-[(2-methoxyphenyl)methyl]-7-methyl-5,6,7,8-tetrahydronaphthalen-2-ol

6-(4-hydroxyphenyl)-8-[(2-methoxyphenyl)methyl]-7-methyl-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 59498609) has the molecular formula C25H26O3 and a molecular weight of 374.48 g/mol. Its IUPAC name is 6-(4-hydroxyphenyl)-8-[(2-methoxyphenyl)methyl]-7-methyl-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name6-(4-hydroxyphenyl)-8-[(2-methoxyphenyl)methyl]-7-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID59498609
Molecular FormulaC25H26O3
Molecular Weight374.48 g/mol
Exact Mass374.19
IUPAC Name6-(4-hydroxyphenyl)-8-[(2-methoxyphenyl)methyl]-7-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCOc1ccccc1CC1c2cc(O)ccc2CC(c2ccc(O)cc2)C1C
InChIInChI=1S/C25H26O3/c1-16-22(17-7-10-20(26)11-8-17)13-18-9-12-21(27)15-24(18)23(16)14-19-5-3-4-6-25(19)28-2/h3-12,15-16,22-23,26-27H,13-14H2,1-2H3
InChIKeyCVNGINJIPQOTMS-UHFFFAOYSA-N
XLogP5.41
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxyphenyl)-8-[(2-methoxyphenyl)methyl]-7-methyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 6-(4-hydroxyphenyl)-8-[(2-methoxyphenyl)methyl]-7-methyl-5,6,7,8-tetrahydronaphthalen-2-ol (CID 59498609) is 6-(4-hydroxyphenyl)-8-[(2-methoxyphenyl)methyl]-7-methyl-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 6-(4-hydroxyphenyl)-8-[(2-methoxyphenyl)methyl]-7-methyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 6-(4-hydroxyphenyl)-8-[(2-methoxyphenyl)methyl]-7-methyl-5,6,7,8-tetrahydronaphthalen-2-ol is COc1ccccc1CC1c2cc(O)ccc2CC(c2ccc(O)cc2)C1C.
What is the InChIKey of 6-(4-hydroxyphenyl)-8-[(2-methoxyphenyl)methyl]-7-methyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is CVNGINJIPQOTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O3/c1-16-22(17-7-10-20(26)11-8-17)13-18-9-12-21(27)15-24(18)23(16)14-19-5-3-4-6-25(19)28-2/h3-12,15-16,22-23,26-27H,13-14H2,1-2H3.
What are the key properties of 6-(4-hydroxyphenyl)-8-[(2-methoxyphenyl)methyl]-7-methyl-5,6,7,8-tetrahydronaphthalen-2-ol?
6-(4-hydroxyphenyl)-8-[(2-methoxyphenyl)methyl]-7-methyl-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 374.48 g/mol, XLogP of 5.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxyphenyl)-8-[(2-methoxyphenyl)methyl]-7-methyl-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 59498609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).