ethane;(2-methyl-3-phenylmethoxyphenyl)methanol

C17H22O2 — CID 143384106

IUPACethane;(2-methyl-3-phenylmethoxyphenyl)methanol
SMILESCC.Cc1c(CO)cccc1OCc1ccccc1
InChIInChI=1S/C15H16O2.C2H6/c1-12-14(10-16)8-5-9-15(12)17-11-13-6-3-2-4-7-13;1-2/h2-9,16H,10-11H2,1H3;1-2H3
InChIKeyKZQCNKZDXLHNBJ-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.09
Rot. Bonds4

About ethane;(2-methyl-3-phenylmethoxyphenyl)methanol

ethane;(2-methyl-3-phenylmethoxyphenyl)methanol (PubChem CID 143384106) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is ethane;(2-methyl-3-phenylmethoxyphenyl)methanol.

Molecular Properties

Compound Nameethane;(2-methyl-3-phenylmethoxyphenyl)methanol
PubChem CID143384106
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Nameethane;(2-methyl-3-phenylmethoxyphenyl)methanol
SMILESCC.Cc1c(CO)cccc1OCc1ccccc1
InChIInChI=1S/C15H16O2.C2H6/c1-12-14(10-16)8-5-9-15(12)17-11-13-6-3-2-4-7-13;1-2/h2-9,16H,10-11H2,1H3;1-2H3
InChIKeyKZQCNKZDXLHNBJ-UHFFFAOYSA-N
XLogP4.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methyl-3-phenylmethoxyphenyl)methanol
CID 58087471
[2-(hydroxymethyl)-3-phenylmethoxyphenyl]methanol
CID 54499676
[2-[(4-methylphenyl)methoxy]phenyl]methanol
CID 887273
(4,5-dimethoxy-2-phenylmethoxyphenyl)methanol
CID 53441132
(3-methyl-4-phenylmethoxy-1H-indol-2-yl)methanol
CID 154159403
2-(aminomethyl)-6-phenylmethoxyphenol
CID 117330545
(2-methyl-3-pent-2-enoxyphenyl)methanol
CID 175150852
(4,5-difluoro-2-phenylmethoxyphenyl)methanol
CID 130119023
2-(2-methyl-6-phenylmethoxyphenyl)acetic acid
CID 14519888
1-(2,2-dimethylpropyl)-2-phenylmethoxybenzene
CID 59836559
(3-methyl-4-phenylmethoxyquinolin-2-yl)methanol
CID 68508380
(4-methoxy-3-methyl-5-phenylmethoxy-2-pyridinyl)methanol
CID 54539942

Frequently Asked Questions

What is the IUPAC name of ethane;(2-methyl-3-phenylmethoxyphenyl)methanol?
The IUPAC name of ethane;(2-methyl-3-phenylmethoxyphenyl)methanol (CID 143384106) is ethane;(2-methyl-3-phenylmethoxyphenyl)methanol.
What is the SMILES notation for ethane;(2-methyl-3-phenylmethoxyphenyl)methanol?
The canonical SMILES for ethane;(2-methyl-3-phenylmethoxyphenyl)methanol is CC.Cc1c(CO)cccc1OCc1ccccc1.
What is the InChIKey of ethane;(2-methyl-3-phenylmethoxyphenyl)methanol?
The InChIKey is KZQCNKZDXLHNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2.C2H6/c1-12-14(10-16)8-5-9-15(12)17-11-13-6-3-2-4-7-13;1-2/h2-9,16H,10-11H2,1H3;1-2H3.
What are the key properties of ethane;(2-methyl-3-phenylmethoxyphenyl)methanol?
ethane;(2-methyl-3-phenylmethoxyphenyl)methanol has a molecular weight of 258.36 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2-methyl-3-phenylmethoxyphenyl)methanol is sourced from PubChem (CID 143384106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).