3-(3-methoxyphenyl)-5-methylhexan-1-ol

C14H22O2 — CID 112507986

IUPAC3-(3-methoxyphenyl)-5-methylhexan-1-ol
SMILESCOc1cccc(C(CCO)CC(C)C)c1
InChIInChI=1S/C14H22O2/c1-11(2)9-13(7-8-15)12-5-4-6-14(10-12)16-3/h4-6,10-11,13,15H,7-9H2,1-3H3
InChIKeyNXHZFMFJAZAVRO-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.21
Rot. Bonds6

About 3-(3-methoxyphenyl)-5-methylhexan-1-ol

3-(3-methoxyphenyl)-5-methylhexan-1-ol (PubChem CID 112507986) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-5-methylhexan-1-ol.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-5-methylhexan-1-ol
PubChem CID112507986
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name3-(3-methoxyphenyl)-5-methylhexan-1-ol
SMILESCOc1cccc(C(CCO)CC(C)C)c1
InChIInChI=1S/C14H22O2/c1-11(2)9-13(7-8-15)12-5-4-6-14(10-12)16-3/h4-6,10-11,13,15H,7-9H2,1-3H3
InChIKeyNXHZFMFJAZAVRO-UHFFFAOYSA-N
XLogP3.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-(3-methoxyphenyl)-3-phenylpropan-1-ol
CID 91197048
1-(3-methoxyphenyl)butane-1,2,4-triol
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4-amino-2-(3-methoxyphenyl)butan-1-ol
CID 115020276
1-(1,3-dichloropropan-2-yl)-3-methoxybenzene
CID 70178746
5-(3-methoxyphenyl)heptane-2,3-diol
CID 83928989
3-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-ol
CID 123769924
(3R)-3-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol
CID 111755727
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene
CID 12861418
1-(3-methoxyphenyl)pentane-1,4-diol
CID 81134047
2-bromo-2-(3-methoxyphenyl)ethanol
CID 22371552
2-amino-3-(3-methoxyphenyl)butan-1-ol
CID 83907824

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-5-methylhexan-1-ol?
The IUPAC name of 3-(3-methoxyphenyl)-5-methylhexan-1-ol (CID 112507986) is 3-(3-methoxyphenyl)-5-methylhexan-1-ol.
What is the SMILES notation for 3-(3-methoxyphenyl)-5-methylhexan-1-ol?
The canonical SMILES for 3-(3-methoxyphenyl)-5-methylhexan-1-ol is COc1cccc(C(CCO)CC(C)C)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-5-methylhexan-1-ol?
The InChIKey is NXHZFMFJAZAVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-11(2)9-13(7-8-15)12-5-4-6-14(10-12)16-3/h4-6,10-11,13,15H,7-9H2,1-3H3.
What are the key properties of 3-(3-methoxyphenyl)-5-methylhexan-1-ol?
3-(3-methoxyphenyl)-5-methylhexan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-5-methylhexan-1-ol is sourced from PubChem (CID 112507986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).