1-(4-methoxy-2-methylphenyl)octan-1-ol

C16H26O2 — CID 61101302

IUPAC1-(4-methoxy-2-methylphenyl)octan-1-ol
SMILESCCCCCCCC(O)c1ccc(OC)cc1C
InChIInChI=1S/C16H26O2/c1-4-5-6-7-8-9-16(17)15-11-10-14(18-3)12-13(15)2/h10-12,16-17H,4-9H2,1-3H3
InChIKeyIDAWQIXFETXEJI-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.40
Rot. Bonds8

About 1-(4-methoxy-2-methylphenyl)octan-1-ol

1-(4-methoxy-2-methylphenyl)octan-1-ol (PubChem CID 61101302) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)octan-1-ol.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)octan-1-ol
PubChem CID61101302
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name1-(4-methoxy-2-methylphenyl)octan-1-ol
SMILESCCCCCCCC(O)c1ccc(OC)cc1C
InChIInChI=1S/C16H26O2/c1-4-5-6-7-8-9-16(17)15-11-10-14(18-3)12-13(15)2/h10-12,16-17H,4-9H2,1-3H3
InChIKeyIDAWQIXFETXEJI-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromo-4-methoxyphenyl)octan-1-ol
CID 55199625
1-(2-bromo-4-methoxyphenyl)heptan-1-ol
CID 114753404
1-(1-chlorooctyl)-4-methoxy-2-methylbenzene
CID 63429941
1-(2-chloro-4-methoxyphenyl)decan-1-ol
CID 65427527
1-(4-methoxy-2-methylphenyl)hexan-1-amine
CID 43125402
1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 13147116
3-methoxy-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 65313094
3-ethoxy-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 105083019
1-(2-bromo-5-methoxyphenyl)nonan-1-ol
CID 105085691
3-ethylsulfanyl-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 116504533
1-(4-methoxy-2-methylphenyl)-2-propoxyethanol
CID 65313194
1-[4-(hydroxymethyl)-2-methylphenyl]decan-1-ol
CID 68811128

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)octan-1-ol?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)octan-1-ol (CID 61101302) is 1-(4-methoxy-2-methylphenyl)octan-1-ol.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)octan-1-ol?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)octan-1-ol is CCCCCCCC(O)c1ccc(OC)cc1C.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)octan-1-ol?
The InChIKey is IDAWQIXFETXEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-4-5-6-7-8-9-16(17)15-11-10-14(18-3)12-13(15)2/h10-12,16-17H,4-9H2,1-3H3.
What are the key properties of 1-(4-methoxy-2-methylphenyl)octan-1-ol?
1-(4-methoxy-2-methylphenyl)octan-1-ol has a molecular weight of 250.38 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylphenyl)octan-1-ol is sourced from PubChem (CID 61101302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).