(5-benzyl-2-methoxyphenyl)methanediol

C15H16O3 — CID 70401164

IUPAC(5-benzyl-2-methoxyphenyl)methanediol
SMILESCOc1ccc(Cc2ccccc2)cc1C(O)O
InChIInChI=1S/C15H16O3/c1-18-14-8-7-12(10-13(14)15(16)17)9-11-5-3-2-4-6-11/h2-8,10,15-17H,9H2,1H3
InChIKeyLANMQEGOLPRYLA-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.27
Rot. Bonds4

About (5-benzyl-2-methoxyphenyl)methanediol

(5-benzyl-2-methoxyphenyl)methanediol (PubChem CID 70401164) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is (5-benzyl-2-methoxyphenyl)methanediol.

Molecular Properties

Compound Name(5-benzyl-2-methoxyphenyl)methanediol
PubChem CID70401164
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name(5-benzyl-2-methoxyphenyl)methanediol
SMILESCOc1ccc(Cc2ccccc2)cc1C(O)O
InChIInChI=1S/C15H16O3/c1-18-14-8-7-12(10-13(14)15(16)17)9-11-5-3-2-4-6-11/h2-8,10,15-17H,9H2,1H3
InChIKeyLANMQEGOLPRYLA-UHFFFAOYSA-N
XLogP2.27
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

azane;4-benzyl-1,2-dimethoxybenzene
CID 69220644
4-benzyl-1-methoxy-2-phenylbenzene
CID 19420150
1-(5-benzyl-2-methoxyphenyl)ethanone
CID 10681517
(5-benzyl-2-methoxyphenyl)methanethiol
CID 170413203
2-methoxy-4-[(3-propan-2-ylphenyl)methyl]phenol
CID 174614895
1,5-dibenzyl-2,4-dimethoxybenzene
CID 134865682
benzylbenzene;methoxymethane
CID 161110966
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 40553494
1-(2-methoxy-5-methylphenyl)-1-phenylmethoxypropan-2-ol
CID 69346055
1-(1-bromo-2-phenylethyl)-2-methoxybenzene
CID 63017425
N-benzyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43177527
(1S)-1-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethanol
CID 63364724

Frequently Asked Questions

What is the IUPAC name of (5-benzyl-2-methoxyphenyl)methanediol?
The IUPAC name of (5-benzyl-2-methoxyphenyl)methanediol (CID 70401164) is (5-benzyl-2-methoxyphenyl)methanediol.
What is the SMILES notation for (5-benzyl-2-methoxyphenyl)methanediol?
The canonical SMILES for (5-benzyl-2-methoxyphenyl)methanediol is COc1ccc(Cc2ccccc2)cc1C(O)O.
What is the InChIKey of (5-benzyl-2-methoxyphenyl)methanediol?
The InChIKey is LANMQEGOLPRYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-18-14-8-7-12(10-13(14)15(16)17)9-11-5-3-2-4-6-11/h2-8,10,15-17H,9H2,1H3.
What are the key properties of (5-benzyl-2-methoxyphenyl)methanediol?
(5-benzyl-2-methoxyphenyl)methanediol has a molecular weight of 244.29 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzyl-2-methoxyphenyl)methanediol is sourced from PubChem (CID 70401164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).