[4-(2-butoxyethoxy)-3,5-dimethylphenyl]methanol

C15H24O3 — CID 54956081

IUPAC[4-(2-butoxyethoxy)-3,5-dimethylphenyl]methanol
SMILESCCCCOCCOc1c(C)cc(CO)cc1C
InChIInChI=1S/C15H24O3/c1-4-5-6-17-7-8-18-15-12(2)9-14(11-16)10-13(15)3/h9-10,16H,4-8,11H2,1-3H3
InChIKeyPXKNKVXDBUNRAZ-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.99
Rot. Bonds8

About [4-(2-butoxyethoxy)-3,5-dimethylphenyl]methanol

[4-(2-butoxyethoxy)-3,5-dimethylphenyl]methanol (PubChem CID 54956081) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is [4-(2-butoxyethoxy)-3,5-dimethylphenyl]methanol.

Molecular Properties

Compound Name[4-(2-butoxyethoxy)-3,5-dimethylphenyl]methanol
PubChem CID54956081
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name[4-(2-butoxyethoxy)-3,5-dimethylphenyl]methanol
SMILESCCCCOCCOc1c(C)cc(CO)cc1C
InChIInChI=1S/C15H24O3/c1-4-5-6-17-7-8-18-15-12(2)9-14(11-16)10-13(15)3/h9-10,16H,4-8,11H2,1-3H3
InChIKeyPXKNKVXDBUNRAZ-UHFFFAOYSA-N
XLogP2.99
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-butoxyethoxy)-5-(chloromethyl)-1,3-dimethylbenzene
CID 54956349
(4-heptoxy-3,5-dimethylphenyl)methanol
CID 43129630
[5-bromo-2-(2-butoxyethoxy)-3-methylphenyl]methanol
CID 112621049
[3,5-dimethyl-4-(4-methylpentoxy)phenyl]methanol
CID 83157323
(3,5-dibromo-4-butoxyphenyl)methanol
CID 107738793
[3-(2-butoxyethoxy)phenyl]methanol
CID 61483192
5-(chloromethyl)-2-heptoxy-1,3-dimethylbenzene
CID 43129659
[4-[(4R)-4-[(3,4-dimethylphenyl)methyl]octoxy]-3,5-dimethylphenyl]methanol
CID 125467183
2-[5-bromo-2-(2-butoxyethoxy)-3-methylphenyl]ethanamine
CID 112621647
[4-(2-butoxyethoxy)-3-methoxyphenyl]methanol
CID 61035977
1-(4-butoxy-3,5-dimethylphenyl)propan-2-amine
CID 54930520
5-(bromomethyl)-1,3-dimethyl-2-nonoxybenzene
CID 63534828

Frequently Asked Questions

What is the IUPAC name of [4-(2-butoxyethoxy)-3,5-dimethylphenyl]methanol?
The IUPAC name of [4-(2-butoxyethoxy)-3,5-dimethylphenyl]methanol (CID 54956081) is [4-(2-butoxyethoxy)-3,5-dimethylphenyl]methanol.
What is the SMILES notation for [4-(2-butoxyethoxy)-3,5-dimethylphenyl]methanol?
The canonical SMILES for [4-(2-butoxyethoxy)-3,5-dimethylphenyl]methanol is CCCCOCCOc1c(C)cc(CO)cc1C.
What is the InChIKey of [4-(2-butoxyethoxy)-3,5-dimethylphenyl]methanol?
The InChIKey is PXKNKVXDBUNRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-4-5-6-17-7-8-18-15-12(2)9-14(11-16)10-13(15)3/h9-10,16H,4-8,11H2,1-3H3.
What are the key properties of [4-(2-butoxyethoxy)-3,5-dimethylphenyl]methanol?
[4-(2-butoxyethoxy)-3,5-dimethylphenyl]methanol has a molecular weight of 252.35 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-butoxyethoxy)-3,5-dimethylphenyl]methanol is sourced from PubChem (CID 54956081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).