2-hexyl-4-phenylbenzene-1,3-diol

C18H22O2 — CID 23109189

IUPAC2-hexyl-4-phenylbenzene-1,3-diol
SMILESCCCCCCc1c(O)ccc(-c2ccccc2)c1O
InChIInChI=1S/C18H22O2/c1-2-3-4-8-11-16-17(19)13-12-15(18(16)20)14-9-6-5-7-10-14/h5-7,9-10,12-13,19-20H,2-4,8,11H2,1H3
InChIKeyDJSAHCRGUHDPTC-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.89
Rot. Bonds6

About 2-hexyl-4-phenylbenzene-1,3-diol

2-hexyl-4-phenylbenzene-1,3-diol (PubChem CID 23109189) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-hexyl-4-phenylbenzene-1,3-diol.

Molecular Properties

Compound Name2-hexyl-4-phenylbenzene-1,3-diol
PubChem CID23109189
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name2-hexyl-4-phenylbenzene-1,3-diol
SMILESCCCCCCc1c(O)ccc(-c2ccccc2)c1O
InChIInChI=1S/C18H22O2/c1-2-3-4-8-11-16-17(19)13-12-15(18(16)20)14-9-6-5-7-10-14/h5-7,9-10,12-13,19-20H,2-4,8,11H2,1H3
InChIKeyDJSAHCRGUHDPTC-UHFFFAOYSA-N
XLogP4.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-butyl-2-methyl-4-phenylphenol
CID 68552702
2,3-dihexylbenzene-1,4-diol
CID 69329716
4-heptyl-3-nonyl-2-phenylphenol
CID 66865847
3-decyl-4-pentyl-2-phenylphenol
CID 66867188
3-decyl-4-ethyl-2-phenylphenol
CID 66867433
2-methyl-4-nonyl-6-phenylphenol
CID 174342860
2-pentylbenzene-1,3-diol
CID 15007741
4-pentyl-2-phenylphenol
CID 154147556
3-ethyl-4-nonyl-2,6-diphenylphenol
CID 174697041
2-methyl-3-octylbenzene-1,4-diol
CID 67742656
2,4-diphenyl-3-(9-phenylnonyl)phenol
CID 175082705
6-hexyl-1-(6-hexyl-2-phenylnaphthalen-1-yl)naphthalen-2-ol
CID 166440328

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-4-phenylbenzene-1,3-diol?
The IUPAC name of 2-hexyl-4-phenylbenzene-1,3-diol (CID 23109189) is 2-hexyl-4-phenylbenzene-1,3-diol.
What is the SMILES notation for 2-hexyl-4-phenylbenzene-1,3-diol?
The canonical SMILES for 2-hexyl-4-phenylbenzene-1,3-diol is CCCCCCc1c(O)ccc(-c2ccccc2)c1O.
What is the InChIKey of 2-hexyl-4-phenylbenzene-1,3-diol?
The InChIKey is DJSAHCRGUHDPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-2-3-4-8-11-16-17(19)13-12-15(18(16)20)14-9-6-5-7-10-14/h5-7,9-10,12-13,19-20H,2-4,8,11H2,1H3.
What are the key properties of 2-hexyl-4-phenylbenzene-1,3-diol?
2-hexyl-4-phenylbenzene-1,3-diol has a molecular weight of 270.37 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-4-phenylbenzene-1,3-diol is sourced from PubChem (CID 23109189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).