1-phenyl-3,4-dihydro-2H-naphthalene-1,2-diol

C16H16O2 — CID 606998

IUPAC1-phenyl-3,4-dihydro-2H-naphthalene-1,2-diol
SMILESOC1CCc2ccccc2C1(O)c1ccccc1
InChIInChI=1S/C16H16O2/c17-15-11-10-12-6-4-5-9-14(12)16(15,18)13-7-2-1-3-8-13/h1-9,15,17-18H,10-11H2
InChIKeyTXNJZFSOMICEJL-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.23
Rot. Bonds1

About 1-phenyl-3,4-dihydro-2H-naphthalene-1,2-diol

1-phenyl-3,4-dihydro-2H-naphthalene-1,2-diol (PubChem CID 606998) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-phenyl-3,4-dihydro-2H-naphthalene-1,2-diol.

Molecular Properties

Compound Name1-phenyl-3,4-dihydro-2H-naphthalene-1,2-diol
PubChem CID606998
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name1-phenyl-3,4-dihydro-2H-naphthalene-1,2-diol
SMILESOC1CCc2ccccc2C1(O)c1ccccc1
InChIInChI=1S/C16H16O2/c17-15-11-10-12-6-4-5-9-14(12)16(15,18)13-7-2-1-3-8-13/h1-9,15,17-18H,10-11H2
InChIKeyTXNJZFSOMICEJL-UHFFFAOYSA-N
XLogP2.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-phenyl-3,4-dihydro-2H-naphthalen-1-ol
CID 15438933
N-(1-hydroxy-1-phenyl-3,4-dihydro-2H-naphthalen-2-yl)acetamide
CID 101100863
(1R,2R)-1-phenyl-2-piperazin-1-yl-3,4-dihydro-2H-naphthalen-1-ol
CID 54250565
1-amino-2-hydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 68877054
(3aS,9bR)-9b-hydroxy-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-1-one
CID 102092616
5-phenyl-6,11,11a,12-tetrahydro-5aH-tetracen-5-ol
CID 166440741
spiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-ol
CID 115010714
7-(dimethylamino)-5-phenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 54253833
1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenyl-3,4-dihydro-2H-naphthalen-1-ol
CID 15755
(1S)-1-[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-ol
CID 10957368
1-phenyl-2,3-dihydroisoindol-1-ol
CID 154123924
2,3,4,5-tetrahydro-2-benzazepine-1,1-diol
CID 151467018

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3,4-dihydro-2H-naphthalene-1,2-diol?
The IUPAC name of 1-phenyl-3,4-dihydro-2H-naphthalene-1,2-diol (CID 606998) is 1-phenyl-3,4-dihydro-2H-naphthalene-1,2-diol.
What is the SMILES notation for 1-phenyl-3,4-dihydro-2H-naphthalene-1,2-diol?
The canonical SMILES for 1-phenyl-3,4-dihydro-2H-naphthalene-1,2-diol is OC1CCc2ccccc2C1(O)c1ccccc1.
What is the InChIKey of 1-phenyl-3,4-dihydro-2H-naphthalene-1,2-diol?
The InChIKey is TXNJZFSOMICEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c17-15-11-10-12-6-4-5-9-14(12)16(15,18)13-7-2-1-3-8-13/h1-9,15,17-18H,10-11H2.
What are the key properties of 1-phenyl-3,4-dihydro-2H-naphthalene-1,2-diol?
1-phenyl-3,4-dihydro-2H-naphthalene-1,2-diol has a molecular weight of 240.30 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3,4-dihydro-2H-naphthalene-1,2-diol is sourced from PubChem (CID 606998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).