5-(naphthalen-1-ylmethyl)benzene-1,3-diol

C17H14O2 — CID 10658318

IUPAC5-(naphthalen-1-ylmethyl)benzene-1,3-diol
SMILESOc1cc(O)cc(Cc2cccc3ccccc23)c1
InChIInChI=1S/C17H14O2/c18-15-9-12(10-16(19)11-15)8-14-6-3-5-13-4-1-2-7-17(13)14/h1-7,9-11,18-19H,8H2
InChIKeySATDPLOZGULWMZ-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.84
Rot. Bonds2

About 5-(naphthalen-1-ylmethyl)benzene-1,3-diol

5-(naphthalen-1-ylmethyl)benzene-1,3-diol (PubChem CID 10658318) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-(naphthalen-1-ylmethyl)benzene-1,3-diol.

Molecular Properties

Compound Name5-(naphthalen-1-ylmethyl)benzene-1,3-diol
PubChem CID10658318
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name5-(naphthalen-1-ylmethyl)benzene-1,3-diol
SMILESOc1cc(O)cc(Cc2cccc3ccccc23)c1
InChIInChI=1S/C17H14O2/c18-15-9-12(10-16(19)11-15)8-14-6-3-5-13-4-1-2-7-17(13)14/h1-7,9-11,18-19H,8H2
InChIKeySATDPLOZGULWMZ-UHFFFAOYSA-N
XLogP3.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(naphthalen-1-ylmethyl)benzene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 66760372
CID 66760372
5-[(6-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol
CID 153324996
1-benzylnaphthalene;N-methylmethanamine
CID 70612820
2-tert-butyl-6-methyl-4-(naphthalen-1-ylmethyl)phenol
CID 20503924
1-[(3-chlorophenyl)methyl]naphthalene
CID 173131881
3-chloro-2-hydroxy-5-(naphthalen-1-ylmethyl)benzaldehyde
CID 960764
2-(naphthalen-1-ylmethyl)naphthalen-1-ol
CID 15617878
1-[(4-fluorophenyl)methyl]naphthalene
CID 11118033
CID 57419547
CID 57419547
(4-hydroxyphenyl)methyl-(naphthalen-1-ylmethyl)sulfanium chloride
CID 157295509
2-hydroxy-6-(naphthalen-1-ylmethyl)benzonitrile
CID 10801253
1,5-dibenzylnaphthalene;2,6-dibenzylnaphthalene
CID 123254467

Frequently Asked Questions

What is the IUPAC name of 5-(naphthalen-1-ylmethyl)benzene-1,3-diol?
The IUPAC name of 5-(naphthalen-1-ylmethyl)benzene-1,3-diol (CID 10658318) is 5-(naphthalen-1-ylmethyl)benzene-1,3-diol.
What is the SMILES notation for 5-(naphthalen-1-ylmethyl)benzene-1,3-diol?
The canonical SMILES for 5-(naphthalen-1-ylmethyl)benzene-1,3-diol is Oc1cc(O)cc(Cc2cccc3ccccc23)c1.
What is the InChIKey of 5-(naphthalen-1-ylmethyl)benzene-1,3-diol?
The InChIKey is SATDPLOZGULWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2/c18-15-9-12(10-16(19)11-15)8-14-6-3-5-13-4-1-2-7-17(13)14/h1-7,9-11,18-19H,8H2.
What are the key properties of 5-(naphthalen-1-ylmethyl)benzene-1,3-diol?
5-(naphthalen-1-ylmethyl)benzene-1,3-diol has a molecular weight of 250.30 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(naphthalen-1-ylmethyl)benzene-1,3-diol is sourced from PubChem (CID 10658318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).