[3-methoxy-4-(2-methylpentoxy)phenyl]methanol

C14H22O3 — CID 55055291

IUPAC[3-methoxy-4-(2-methylpentoxy)phenyl]methanol
SMILESCCCC(C)COc1ccc(CO)cc1OC
InChIInChI=1S/C14H22O3/c1-4-5-11(2)10-17-13-7-6-12(9-15)8-14(13)16-3/h6-8,11,15H,4-5,9-10H2,1-3H3
InChIKeyNVKVYBHLURNGFL-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.00
Rot. Bonds7

About [3-methoxy-4-(2-methylpentoxy)phenyl]methanol

[3-methoxy-4-(2-methylpentoxy)phenyl]methanol (PubChem CID 55055291) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is [3-methoxy-4-(2-methylpentoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-methoxy-4-(2-methylpentoxy)phenyl]methanol
PubChem CID55055291
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name[3-methoxy-4-(2-methylpentoxy)phenyl]methanol
SMILESCCCC(C)COc1ccc(CO)cc1OC
InChIInChI=1S/C14H22O3/c1-4-5-11(2)10-17-13-7-6-12(9-15)8-14(13)16-3/h6-8,11,15H,4-5,9-10H2,1-3H3
InChIKeyNVKVYBHLURNGFL-UHFFFAOYSA-N
XLogP3.00
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-methoxy-4-(2-methylpentoxy)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-2-methylpropoxy)-4-ethyl-2-methoxybenzene
CID 107664506
4,5-dimethoxy-2-(2-methylpentoxy)aniline
CID 103282951
[4-(2-butoxyethoxy)-3-methoxyphenyl]methanol
CID 61035977
N-[[3,5-dimethoxy-4-(2-methylpentoxy)phenyl]methyl]ethanamine
CID 62266219
(3-butan-2-yloxy-4-methoxyphenyl)methanol
CID 43209251
(3-methoxy-4-phosphanyloxyphenyl)methanol
CID 89023367
2-(cyclopropylamino)-3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanenitrile
CID 107744303
5-methoxy-2-(2-methylpentoxy)aniline
CID 62266736
2-amino-4-methoxy-5-(2-methylpentoxy)benzoic acid
CID 62264681
2-fluoro-1-methoxy-4-[(2R)-2-methylpentyl]benzene
CID 59468307
(3-hexoxy-4-methoxyphenyl)methanol
CID 29006684
2-methoxy-5-(2-methylpentyl)phenol
CID 154974152

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-(2-methylpentoxy)phenyl]methanol?
The IUPAC name of [3-methoxy-4-(2-methylpentoxy)phenyl]methanol (CID 55055291) is [3-methoxy-4-(2-methylpentoxy)phenyl]methanol.
What is the SMILES notation for [3-methoxy-4-(2-methylpentoxy)phenyl]methanol?
The canonical SMILES for [3-methoxy-4-(2-methylpentoxy)phenyl]methanol is CCCC(C)COc1ccc(CO)cc1OC.
What is the InChIKey of [3-methoxy-4-(2-methylpentoxy)phenyl]methanol?
The InChIKey is NVKVYBHLURNGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-4-5-11(2)10-17-13-7-6-12(9-15)8-14(13)16-3/h6-8,11,15H,4-5,9-10H2,1-3H3.
What are the key properties of [3-methoxy-4-(2-methylpentoxy)phenyl]methanol?
[3-methoxy-4-(2-methylpentoxy)phenyl]methanol has a molecular weight of 238.33 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-(2-methylpentoxy)phenyl]methanol is sourced from PubChem (CID 55055291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).