2-(2-butylphenyl)hexane-1,2-diol

C16H26O2 — CID 162716167

IUPAC2-(2-butylphenyl)hexane-1,2-diol
SMILESCCCCc1ccccc1C(O)(CO)CCCC
InChIInChI=1S/C16H26O2/c1-3-5-9-14-10-7-8-11-15(14)16(18,13-17)12-6-4-2/h7-8,10-11,17-18H,3-6,9,12-13H2,1-2H3
InChIKeyMFKKHGMPYSLLBY-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.40
Rot. Bonds8

About 2-(2-butylphenyl)hexane-1,2-diol

2-(2-butylphenyl)hexane-1,2-diol (PubChem CID 162716167) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 2-(2-butylphenyl)hexane-1,2-diol.

Molecular Properties

Compound Name2-(2-butylphenyl)hexane-1,2-diol
PubChem CID162716167
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name2-(2-butylphenyl)hexane-1,2-diol
SMILESCCCCc1ccccc1C(O)(CO)CCCC
InChIInChI=1S/C16H26O2/c1-3-5-9-14-10-7-8-11-15(14)16(18,13-17)12-6-4-2/h7-8,10-11,17-18H,3-6,9,12-13H2,1-2H3
InChIKeyMFKKHGMPYSLLBY-UHFFFAOYSA-N
XLogP3.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2-butylphenyl)hexane-1,2-diol 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 173038045
CID 173038045
CID 18982445
CID 18982445
5-(2-butylphenyl)nonan-5-amine;hydrate
CID 173000682
3-butyl-3-(2-butylphenyl)heptanoic acid
CID 156769670
azanium 3-butyl-3-(2-butylphenyl)heptanoate
CID 156769669
CID 159940559
CID 159940559
5-(2-butylphenyl)nonan-5-yl-hexadecyl-dimethylazanium;naphthalene-1,4-diol
CID 162016479
1-(1,1-difluoroethyl)-2-pentylbenzene
CID 143129325
1-(2-bromopropan-2-yl)-2-undecylbenzene
CID 166519006
1-(2-bromopropan-2-yl)-2-tetradecylbenzene
CID 141042240
2,3-bis[5-(2-butylphenoxy)nonan-5-yl]phenol
CID 67178803
1,2-dibutyl-3-(5-phenylnonan-5-yl)benzene
CID 57305489

Frequently Asked Questions

What is the IUPAC name of 2-(2-butylphenyl)hexane-1,2-diol?
The IUPAC name of 2-(2-butylphenyl)hexane-1,2-diol (CID 162716167) is 2-(2-butylphenyl)hexane-1,2-diol.
What is the SMILES notation for 2-(2-butylphenyl)hexane-1,2-diol?
The canonical SMILES for 2-(2-butylphenyl)hexane-1,2-diol is CCCCc1ccccc1C(O)(CO)CCCC.
What is the InChIKey of 2-(2-butylphenyl)hexane-1,2-diol?
The InChIKey is MFKKHGMPYSLLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-3-5-9-14-10-7-8-11-15(14)16(18,13-17)12-6-4-2/h7-8,10-11,17-18H,3-6,9,12-13H2,1-2H3.
What are the key properties of 2-(2-butylphenyl)hexane-1,2-diol?
2-(2-butylphenyl)hexane-1,2-diol has a molecular weight of 250.38 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butylphenyl)hexane-1,2-diol is sourced from PubChem (CID 162716167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).