(3-methyl-2-phenylmethoxyphenyl)-phenylmethanol

C21H20O2 — CID 171366218

IUPAC(3-methyl-2-phenylmethoxyphenyl)-phenylmethanol
SMILESCc1cccc(C(O)c2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C21H20O2/c1-16-9-8-14-19(20(22)18-12-6-3-7-13-18)21(16)23-15-17-10-4-2-5-11-17/h2-14,20,22H,15H2,1H3
InChIKeyPFROOKLWEQUHHF-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.66
Rot. Bonds5

About (3-methyl-2-phenylmethoxyphenyl)-phenylmethanol

(3-methyl-2-phenylmethoxyphenyl)-phenylmethanol (PubChem CID 171366218) has the molecular formula C21H20O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (3-methyl-2-phenylmethoxyphenyl)-phenylmethanol.

Molecular Properties

Compound Name(3-methyl-2-phenylmethoxyphenyl)-phenylmethanol
PubChem CID171366218
Molecular FormulaC21H20O2
Molecular Weight304.39 g/mol
Exact Mass304.15
IUPAC Name(3-methyl-2-phenylmethoxyphenyl)-phenylmethanol
SMILESCc1cccc(C(O)c2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C21H20O2/c1-16-9-8-14-19(20(22)18-12-6-3-7-13-18)21(16)23-15-17-10-4-2-5-11-17/h2-14,20,22H,15H2,1H3
InChIKeyPFROOKLWEQUHHF-UHFFFAOYSA-N
XLogP4.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(3-methyl-2-phenylmethoxyphenyl)butan-1-ol
CID 171366492
1-chloro-3-methyl-2-phenylmethoxybenzene
CID 71366901
1-(2-phenylmethoxy-3-propan-2-ylphenyl)ethanol
CID 170547313
1-methyl-3-phenylmethoxy-2-propan-2-yloxybenzene
CID 174337570
(2-bromo-3-methylphenyl)-phenylmethanol
CID 107983305
1-(3-methoxy-2-phenylmethoxyphenyl)propan-1-ol
CID 83951052
(2-methyl-6-phenylmethoxyphenyl) acetate
CID 67719682
1,3-dimethyl-2-phenylmethoxy-5-propan-2-ylbenzene
CID 59709239
(2-hydroxy-3-phenylmethoxyphenyl)methanediol
CID 155107233
1-(3-methoxy-2-phenylmethoxyphenyl)butan-1-ol
CID 83951053
1-[3-methyl-2-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 82088753
(R)-[2-[(S)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542463

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-phenylmethoxyphenyl)-phenylmethanol?
The IUPAC name of (3-methyl-2-phenylmethoxyphenyl)-phenylmethanol (CID 171366218) is (3-methyl-2-phenylmethoxyphenyl)-phenylmethanol.
What is the SMILES notation for (3-methyl-2-phenylmethoxyphenyl)-phenylmethanol?
The canonical SMILES for (3-methyl-2-phenylmethoxyphenyl)-phenylmethanol is Cc1cccc(C(O)c2ccccc2)c1OCc1ccccc1.
What is the InChIKey of (3-methyl-2-phenylmethoxyphenyl)-phenylmethanol?
The InChIKey is PFROOKLWEQUHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O2/c1-16-9-8-14-19(20(22)18-12-6-3-7-13-18)21(16)23-15-17-10-4-2-5-11-17/h2-14,20,22H,15H2,1H3.
What are the key properties of (3-methyl-2-phenylmethoxyphenyl)-phenylmethanol?
(3-methyl-2-phenylmethoxyphenyl)-phenylmethanol has a molecular weight of 304.39 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-phenylmethoxyphenyl)-phenylmethanol is sourced from PubChem (CID 171366218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).