2-(3-methoxyphenyl)-3-methylhexan-2-ol

C14H22O2 — CID 107892511

IUPAC2-(3-methoxyphenyl)-3-methylhexan-2-ol
SMILESCCCC(C)C(C)(O)c1cccc(OC)c1
InChIInChI=1S/C14H22O2/c1-5-7-11(2)14(3,15)12-8-6-9-13(10-12)16-4/h6,8-11,15H,5,7H2,1-4H3
InChIKeyKCICRWROKDWXET-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.34
Rot. Bonds5

About 2-(3-methoxyphenyl)-3-methylhexan-2-ol

2-(3-methoxyphenyl)-3-methylhexan-2-ol (PubChem CID 107892511) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-3-methylhexan-2-ol.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-3-methylhexan-2-ol
PubChem CID107892511
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-(3-methoxyphenyl)-3-methylhexan-2-ol
SMILESCCCC(C)C(C)(O)c1cccc(OC)c1
InChIInChI=1S/C14H22O2/c1-5-7-11(2)14(3,15)12-8-6-9-13(10-12)16-4/h6,8-11,15H,5,7H2,1-4H3
InChIKeyKCICRWROKDWXET-UHFFFAOYSA-N
XLogP3.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-3-methylhexan-2-ol
CID 107892502
(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
CID 101270093
1-fluoro-1-(3-methoxyphenyl)ethanol
CID 174577353
3-(3-methoxyphenyl)-2-methylpentan-3-ol;N-methylmethanamine
CID 68829384
(2S)-2-(3-propan-2-yloxyphenyl)pentan-2-ol
CID 97048457
2-(2-methoxyphenyl)-3-methylhexan-2-ol
CID 107892512
2-(3-methoxyphenyl)-1-phenylpropan-2-ol
CID 43810200
(2S,3S)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol;hydrochloride
CID 67043376
(2S)-1,1,1-trifluoro-2-(3-methoxyphenyl)propan-2-ol
CID 166750619
(1S)-1-(3-methoxyphenyl)-1-phenylethanol
CID 29415940
1-(3-methoxyphenyl)-1-phenylethanol
CID 15680503
5-(dimethylamino)-3-(3-methoxyphenyl)-2-methylhexan-3-ol
CID 90977706

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-3-methylhexan-2-ol?
The IUPAC name of 2-(3-methoxyphenyl)-3-methylhexan-2-ol (CID 107892511) is 2-(3-methoxyphenyl)-3-methylhexan-2-ol.
What is the SMILES notation for 2-(3-methoxyphenyl)-3-methylhexan-2-ol?
The canonical SMILES for 2-(3-methoxyphenyl)-3-methylhexan-2-ol is CCCC(C)C(C)(O)c1cccc(OC)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-3-methylhexan-2-ol?
The InChIKey is KCICRWROKDWXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-5-7-11(2)14(3,15)12-8-6-9-13(10-12)16-4/h6,8-11,15H,5,7H2,1-4H3.
What are the key properties of 2-(3-methoxyphenyl)-3-methylhexan-2-ol?
2-(3-methoxyphenyl)-3-methylhexan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-3-methylhexan-2-ol is sourced from PubChem (CID 107892511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).