3-butyl-2-(1-hydroxycyclohexa-2,4-dien-1-yl)phenol

C16H20O2 — CID 174759641

IUPAC3-butyl-2-(1-hydroxycyclohexa-2,4-dien-1-yl)phenol
SMILESCCCCc1cccc(O)c1C1(O)C=CC=CC1
InChIInChI=1S/C16H20O2/c1-2-3-8-13-9-7-10-14(17)15(13)16(18)11-5-4-6-12-16/h4-7,9-11,17-18H,2-3,8,12H2,1H3
InChIKeyWETKCVMGZUFVLV-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.44
Rot. Bonds4

About 3-butyl-2-(1-hydroxycyclohexa-2,4-dien-1-yl)phenol

3-butyl-2-(1-hydroxycyclohexa-2,4-dien-1-yl)phenol (PubChem CID 174759641) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-butyl-2-(1-hydroxycyclohexa-2,4-dien-1-yl)phenol.

Molecular Properties

Compound Name3-butyl-2-(1-hydroxycyclohexa-2,4-dien-1-yl)phenol
PubChem CID174759641
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name3-butyl-2-(1-hydroxycyclohexa-2,4-dien-1-yl)phenol
SMILESCCCCc1cccc(O)c1C1(O)C=CC=CC1
InChIInChI=1S/C16H20O2/c1-2-3-8-13-9-7-10-14(17)15(13)16(18)11-5-4-6-12-16/h4-7,9-11,17-18H,2-3,8,12H2,1H3
InChIKeyWETKCVMGZUFVLV-UHFFFAOYSA-N
XLogP3.44
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-butyl-2-(1-hydroxycyclohexa-2,4-dien-1-yl)phenol 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

CID 66654402
CID 66654402
2-butyl-3-hexylphenol
CID 141346396
3-butyl-2-ethenylphenol
CID 23312031
3-butyl-2-hexylphenol
CID 66867063
sodium;3-butyl-2-phenylphenol;hydride
CID 173461080
CID 173139810
CID 173139810
2-dodecylphenol
CID 160834917
CID 173400823
CID 173400823
CID 159940559
CID 159940559
2-(aminomethyl)-6-butylphenol
CID 142528852
2,3-di(nonadecyl)phenol
CID 151687635
2-(4-fluorooctyl)phenol
CID 70022648

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-(1-hydroxycyclohexa-2,4-dien-1-yl)phenol?
The IUPAC name of 3-butyl-2-(1-hydroxycyclohexa-2,4-dien-1-yl)phenol (CID 174759641) is 3-butyl-2-(1-hydroxycyclohexa-2,4-dien-1-yl)phenol.
What is the SMILES notation for 3-butyl-2-(1-hydroxycyclohexa-2,4-dien-1-yl)phenol?
The canonical SMILES for 3-butyl-2-(1-hydroxycyclohexa-2,4-dien-1-yl)phenol is CCCCc1cccc(O)c1C1(O)C=CC=CC1.
What is the InChIKey of 3-butyl-2-(1-hydroxycyclohexa-2,4-dien-1-yl)phenol?
The InChIKey is WETKCVMGZUFVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-2-3-8-13-9-7-10-14(17)15(13)16(18)11-5-4-6-12-16/h4-7,9-11,17-18H,2-3,8,12H2,1H3.
What are the key properties of 3-butyl-2-(1-hydroxycyclohexa-2,4-dien-1-yl)phenol?
3-butyl-2-(1-hydroxycyclohexa-2,4-dien-1-yl)phenol has a molecular weight of 244.33 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-(1-hydroxycyclohexa-2,4-dien-1-yl)phenol is sourced from PubChem (CID 174759641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).