(2-decoxy-3-methylphenyl)methanol

C18H30O2 — CID 115956202

IUPAC(2-decoxy-3-methylphenyl)methanol
SMILESCCCCCCCCCCOc1c(C)cccc1CO
InChIInChI=1S/C18H30O2/c1-3-4-5-6-7-8-9-10-14-20-18-16(2)12-11-13-17(18)15-19/h11-13,19H,3-10,14-15H2,1-2H3
InChIKeyPTPUVNSCMMKOHN-UHFFFAOYSA-N
MW278.44 g/mol
LogP5.01
Rot. Bonds11

About (2-decoxy-3-methylphenyl)methanol

(2-decoxy-3-methylphenyl)methanol (PubChem CID 115956202) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is (2-decoxy-3-methylphenyl)methanol.

Molecular Properties

Compound Name(2-decoxy-3-methylphenyl)methanol
PubChem CID115956202
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name(2-decoxy-3-methylphenyl)methanol
SMILESCCCCCCCCCCOc1c(C)cccc1CO
InChIInChI=1S/C18H30O2/c1-3-4-5-6-7-8-9-10-14-20-18-16(2)12-11-13-17(18)15-19/h11-13,19H,3-10,14-15H2,1-2H3
InChIKeyPTPUVNSCMMKOHN-UHFFFAOYSA-N
XLogP5.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 55.01
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

2-decoxy-1,3-dimethylbenzene
CID 83057478
(2-decoxy-3-methylphenyl)methanamine
CID 115951875
1-(bromomethyl)-2-hexoxy-3-methylbenzene
CID 112614137
1-(bromomethyl)-3-methyl-2-octoxybenzene
CID 112614072
(3-chloro-2-octoxyphenyl)methanol
CID 112612718
(3-fluoro-2-heptoxyphenyl)methanol
CID 112612964
(3-methoxy-2-nonoxyphenyl)methanol
CID 43471510
1-(2-decoxy-3-methylphenyl)-N-methylmethanamine
CID 115952261
[3-methyl-2-(4-phenylbutoxy)phenyl]methanol
CID 114333944
N-[(2-heptoxy-3-methylphenyl)methyl]-2-methylpropan-2-amine
CID 115954178
N-methyl-1-(3-methyl-2-pentoxyphenyl)methanamine
CID 112608352
N-[(2-heptoxy-3-methylphenyl)methyl]propan-2-amine
CID 115954021

Frequently Asked Questions

What is the IUPAC name of (2-decoxy-3-methylphenyl)methanol?
The IUPAC name of (2-decoxy-3-methylphenyl)methanol (CID 115956202) is (2-decoxy-3-methylphenyl)methanol.
What is the SMILES notation for (2-decoxy-3-methylphenyl)methanol?
The canonical SMILES for (2-decoxy-3-methylphenyl)methanol is CCCCCCCCCCOc1c(C)cccc1CO.
What is the InChIKey of (2-decoxy-3-methylphenyl)methanol?
The InChIKey is PTPUVNSCMMKOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-3-4-5-6-7-8-9-10-14-20-18-16(2)12-11-13-17(18)15-19/h11-13,19H,3-10,14-15H2,1-2H3.
What are the key properties of (2-decoxy-3-methylphenyl)methanol?
(2-decoxy-3-methylphenyl)methanol has a molecular weight of 278.44 g/mol, XLogP of 5.01, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-decoxy-3-methylphenyl)methanol is sourced from PubChem (CID 115956202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).