2-[(4-hydroxyphenyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol

C18H20O3 — CID 115511060

IUPAC2-[(4-hydroxyphenyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
SMILESCOc1ccc2c(c1)CC(O)(Cc1ccc(O)cc1)CC2
InChIInChI=1S/C18H20O3/c1-21-17-7-4-14-8-9-18(20,12-15(14)10-17)11-13-2-5-16(19)6-3-13/h2-7,10,19-20H,8-9,11-12H2,1H3
InChIKeyPHVUUUHWQZEIMR-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.86
Rot. Bonds3

About 2-[(4-hydroxyphenyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol

2-[(4-hydroxyphenyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol (PubChem CID 115511060) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[(4-hydroxyphenyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name2-[(4-hydroxyphenyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
PubChem CID115511060
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name2-[(4-hydroxyphenyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
SMILESCOc1ccc2c(c1)CC(O)(Cc1ccc(O)cc1)CC2
InChIInChI=1S/C18H20O3/c1-21-17-7-4-14-8-9-18(20,12-15(14)10-17)11-13-2-5-16(19)6-3-13/h2-7,10,19-20H,8-9,11-12H2,1H3
InChIKeyPHVUUUHWQZEIMR-UHFFFAOYSA-N
XLogP2.86
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-2-(methylaminomethyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 115511135
2-[(5-chlorothiophen-2-yl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
CID 115510908
2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)acetonitrile
CID 115511264
7-methoxy-2-pent-4-ynyl-3,4-dihydro-1H-naphthalen-2-ol
CID 113374244
7-methoxy-2-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 115510904
2-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-naphthalen-2-ol
CID 105461731
7-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 115511023
2-[(2-amino-3-pyridinyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
CID 115510921
2-[(3-chloro-4-pyridinyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
CID 115510925
7-methoxy-2-[(2-methoxyethylamino)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 115511140
1-[(4-ethylphenyl)methyl]-6-methoxy-2,3-dihydroinden-1-ol
CID 79371784
1-[(3-methoxyphenyl)methyl]cyclopropan-1-ol
CID 62669869

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxyphenyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol?
The IUPAC name of 2-[(4-hydroxyphenyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol (CID 115511060) is 2-[(4-hydroxyphenyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for 2-[(4-hydroxyphenyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for 2-[(4-hydroxyphenyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol is COc1ccc2c(c1)CC(O)(Cc1ccc(O)cc1)CC2.
What is the InChIKey of 2-[(4-hydroxyphenyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol?
The InChIKey is PHVUUUHWQZEIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-21-17-7-4-14-8-9-18(20,12-15(14)10-17)11-13-2-5-16(19)6-3-13/h2-7,10,19-20H,8-9,11-12H2,1H3.
What are the key properties of 2-[(4-hydroxyphenyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol?
2-[(4-hydroxyphenyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol has a molecular weight of 284.36 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxyphenyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 115511060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).