1-(4-methoxyphenyl)-4-methyloctan-3-ol

C16H26O2 — CID 114247161

IUPAC1-(4-methoxyphenyl)-4-methyloctan-3-ol
SMILESCCCCC(C)C(O)CCc1ccc(OC)cc1
InChIInChI=1S/C16H26O2/c1-4-5-6-13(2)16(17)12-9-14-7-10-15(18-3)11-8-14/h7-8,10-11,13,16-17H,4-6,9,12H2,1-3H3
InChIKeyDLVDSWRLJFUGFY-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.82
Rot. Bonds8

About 1-(4-methoxyphenyl)-4-methyloctan-3-ol

1-(4-methoxyphenyl)-4-methyloctan-3-ol (PubChem CID 114247161) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-methyloctan-3-ol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-methyloctan-3-ol
PubChem CID114247161
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name1-(4-methoxyphenyl)-4-methyloctan-3-ol
SMILESCCCCC(C)C(O)CCc1ccc(OC)cc1
InChIInChI=1S/C16H26O2/c1-4-5-6-13(2)16(17)12-9-14-7-10-15(18-3)11-8-14/h7-8,10-11,13,16-17H,4-6,9,12H2,1-3H3
InChIKeyDLVDSWRLJFUGFY-UHFFFAOYSA-N
XLogP3.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)nonan-3-ol
CID 65444716
(3R,5R)-1-(4-methoxyphenyl)undecane-3,5-diol
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1-(4-methoxyphenyl)hexan-2-ol
CID 62608607
ethyl 2-hydroxy-5-(4-methoxyphenyl)-3-methylpentanoate
CID 66289830
1-(3,4-dimethylpentyl)-4-methoxybenzene
CID 90900770
1,1,1-trifluoro-5-(4-methoxyphenyl)-2-(trifluoromethyl)pentan-3-ol
CID 103312524
1-(4-methoxyphenyl)pentan-1-ol
CID 10176510
1-[(2R)-hexan-2-yl]-4-methoxybenzene
CID 134898534
1-iodo-3-(4-methoxyphenyl)propan-1-ol
CID 146274831
3-[2-(4-methoxyphenyl)ethyl]-4-methylpentan-2-ol
CID 79423809
(2R)-4-(4-butoxyphenyl)butan-2-ol
CID 93086996
ethyl (2R)-2-hydroxy-4-(4-methoxyphenyl)butanoate
CID 102317664

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-methyloctan-3-ol?
The IUPAC name of 1-(4-methoxyphenyl)-4-methyloctan-3-ol (CID 114247161) is 1-(4-methoxyphenyl)-4-methyloctan-3-ol.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-methyloctan-3-ol?
The canonical SMILES for 1-(4-methoxyphenyl)-4-methyloctan-3-ol is CCCCC(C)C(O)CCc1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-methyloctan-3-ol?
The InChIKey is DLVDSWRLJFUGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-4-5-6-13(2)16(17)12-9-14-7-10-15(18-3)11-8-14/h7-8,10-11,13,16-17H,4-6,9,12H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-4-methyloctan-3-ol?
1-(4-methoxyphenyl)-4-methyloctan-3-ol has a molecular weight of 250.38 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-methyloctan-3-ol is sourced from PubChem (CID 114247161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).