(S)-(3,4-dimethoxyphenyl)-phenylmethanol

C15H16O3 — CID 7154230

IUPAC(S)-(3,4-dimethoxyphenyl)-phenylmethanol
SMILESCOc1ccc([C@@H](O)c2ccccc2)cc1OC
InChIInChI=1S/C15H16O3/c1-17-13-9-8-12(10-14(13)18-2)15(16)11-6-4-3-5-7-11/h3-10,15-16H,1-2H3/t15-/m0/s1
InChIKeyYUSIFTKKBCLPAD-HNNXBMFYSA-N
MW244.29 g/mol
LogP2.79
Rot. Bonds4

About (S)-(3,4-dimethoxyphenyl)-phenylmethanol

(S)-(3,4-dimethoxyphenyl)-phenylmethanol (PubChem CID 7154230) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is (S)-(3,4-dimethoxyphenyl)-phenylmethanol.

Molecular Properties

Compound Name(S)-(3,4-dimethoxyphenyl)-phenylmethanol
PubChem CID7154230
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name(S)-(3,4-dimethoxyphenyl)-phenylmethanol
SMILESCOc1ccc([C@@H](O)c2ccccc2)cc1OC
InChIInChI=1S/C15H16O3/c1-17-13-9-8-12(10-14(13)18-2)15(16)11-6-4-3-5-7-11/h3-10,15-16H,1-2H3/t15-/m0/s1
InChIKeyYUSIFTKKBCLPAD-HNNXBMFYSA-N
XLogP2.79
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-3-methoxyphenyl)-phenylmethanol
CID 67532906
(3-cyclopropylphenyl)-(3,4-dimethoxyphenyl)methanol
CID 79973193
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
(3,4-dimethoxyphenyl)-pyridin-2-ylmethanol
CID 14098122
(S)-(3-methoxy-4-phenylmethoxyphenyl)-(4-methylphenyl)methanol
CID 129384165
3-amino-1-(3,4-dimethoxyphenyl)-2-phenylpropan-1-ol
CID 65186149
(S)-(3-amino-4-methoxyphenyl)-(4-phenylphenyl)methanol
CID 100804164
(3,4-dimethoxyphenyl)-(4-nitrophenyl)methanol
CID 91678450
(4-methoxynaphthalen-2-yl)-phenylmethanol
CID 72942487
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
2-[1-(3,4-dimethoxyphenyl)propylamino]-1-phenylethanol
CID 57000376
[3-(3,4-dimethoxyphenyl)-3-hydroxypropyl]-triphenylphosphanium
CID 11284069

Frequently Asked Questions

What is the IUPAC name of (S)-(3,4-dimethoxyphenyl)-phenylmethanol?
The IUPAC name of (S)-(3,4-dimethoxyphenyl)-phenylmethanol (CID 7154230) is (S)-(3,4-dimethoxyphenyl)-phenylmethanol.
What is the SMILES notation for (S)-(3,4-dimethoxyphenyl)-phenylmethanol?
The canonical SMILES for (S)-(3,4-dimethoxyphenyl)-phenylmethanol is COc1ccc([C@@H](O)c2ccccc2)cc1OC.
What is the InChIKey of (S)-(3,4-dimethoxyphenyl)-phenylmethanol?
The InChIKey is YUSIFTKKBCLPAD-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16O3/c1-17-13-9-8-12(10-14(13)18-2)15(16)11-6-4-3-5-7-11/h3-10,15-16H,1-2H3/t15-/m0/s1.
What are the key properties of (S)-(3,4-dimethoxyphenyl)-phenylmethanol?
(S)-(3,4-dimethoxyphenyl)-phenylmethanol has a molecular weight of 244.29 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3,4-dimethoxyphenyl)-phenylmethanol is sourced from PubChem (CID 7154230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).