4-(3-ethylpentyl)-2-methoxyphenol

C14H22O2 — CID 142654270

IUPAC4-(3-ethylpentyl)-2-methoxyphenol
SMILESCCC(CC)CCc1ccc(O)c(OC)c1
InChIInChI=1S/C14H22O2/c1-4-11(5-2)6-7-12-8-9-13(15)14(10-12)16-3/h8-11,15H,4-7H2,1-3H3
InChIKeyMRMSPDUOVXFWCH-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.77
Rot. Bonds6

About 4-(3-ethylpentyl)-2-methoxyphenol

4-(3-ethylpentyl)-2-methoxyphenol (PubChem CID 142654270) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-(3-ethylpentyl)-2-methoxyphenol.

Molecular Properties

Compound Name4-(3-ethylpentyl)-2-methoxyphenol
PubChem CID142654270
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name4-(3-ethylpentyl)-2-methoxyphenol
SMILESCCC(CC)CCc1ccc(O)c(OC)c1
InChIInChI=1S/C14H22O2/c1-4-11(5-2)6-7-12-8-9-13(15)14(10-12)16-3/h8-11,15H,4-7H2,1-3H3
InChIKeyMRMSPDUOVXFWCH-UHFFFAOYSA-N
XLogP3.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3-ethylpentyl)-2-methoxyphenol 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

(3R,5R)-1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-diol
CID 10883331
ethane;2-methoxy-4-propylphenol
CID 144852330
4-(3-aminobutyl)-2-methoxyphenol chloride
CID 45108613
4-(3-hydroxyheptyl)-2-methoxyphenol
CID 142945422
1,7-bis(4-hydroxy-3-methoxyphenyl)-4,4-dimethylheptane-3,5-diol
CID 163420206
ethyl 2-hydroxy-4-(4-hydroxy-3-methoxyphenyl)butanoate
CID 21224421
2-(4-hydroxy-3-methoxyphenyl)ethylazanium
CID 6927014
ethane;1-(4-hydroxy-3-methoxyphenyl)decane-3,5-diol
CID 156738617
tris(2-methoxy-4-propylphenol);phosphoric acid
CID 71328492
CID 175936648
CID 175936648
methyl 4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]butanoate
CID 135228474
4-[5-(4-tert-butylphenyl)-3-methylpentyl]-2-methoxyphenol;methane
CID 161393125

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylpentyl)-2-methoxyphenol?
The IUPAC name of 4-(3-ethylpentyl)-2-methoxyphenol (CID 142654270) is 4-(3-ethylpentyl)-2-methoxyphenol.
What is the SMILES notation for 4-(3-ethylpentyl)-2-methoxyphenol?
The canonical SMILES for 4-(3-ethylpentyl)-2-methoxyphenol is CCC(CC)CCc1ccc(O)c(OC)c1.
What is the InChIKey of 4-(3-ethylpentyl)-2-methoxyphenol?
The InChIKey is MRMSPDUOVXFWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-4-11(5-2)6-7-12-8-9-13(15)14(10-12)16-3/h8-11,15H,4-7H2,1-3H3.
What are the key properties of 4-(3-ethylpentyl)-2-methoxyphenol?
4-(3-ethylpentyl)-2-methoxyphenol has a molecular weight of 222.33 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylpentyl)-2-methoxyphenol is sourced from PubChem (CID 142654270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).