4-propyl-6-(3-propylphenyl)benzene-1,3-diol

C18H22O2 — CID 71009376

IUPAC4-propyl-6-(3-propylphenyl)benzene-1,3-diol
SMILESCCCc1cccc(-c2cc(CCC)c(O)cc2O)c1
InChIInChI=1S/C18H22O2/c1-3-6-13-8-5-9-14(10-13)16-11-15(7-4-2)17(19)12-18(16)20/h5,8-12,19-20H,3-4,6-7H2,1-2H3
InChIKeyDYQRZHZDDBKDHP-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.67
Rot. Bonds5

About 4-propyl-6-(3-propylphenyl)benzene-1,3-diol

4-propyl-6-(3-propylphenyl)benzene-1,3-diol (PubChem CID 71009376) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-propyl-6-(3-propylphenyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-propyl-6-(3-propylphenyl)benzene-1,3-diol
PubChem CID71009376
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name4-propyl-6-(3-propylphenyl)benzene-1,3-diol
SMILESCCCc1cccc(-c2cc(CCC)c(O)cc2O)c1
InChIInChI=1S/C18H22O2/c1-3-6-13-8-5-9-14(10-13)16-11-15(7-4-2)17(19)12-18(16)20/h5,8-12,19-20H,3-4,6-7H2,1-2H3
InChIKeyDYQRZHZDDBKDHP-UHFFFAOYSA-N
XLogP4.67
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-(3-propylphenyl)phenol
CID 116546527
4,6-dipropylbenzene-1,3-diol
CID 70496109
2-(3-propylphenyl)pyridin-3-ol
CID 116546530
1-methyl-2-(3-propylphenyl)benzene
CID 143365994
1-phenyl-3-propylbenzene
CID 4110465
ethyl 3-[4-hydroxy-3-(3-propylphenyl)phenyl]propanoate
CID 166450114
1,4-dimethyl-2-(3-propylphenyl)benzene
CID 173395390
2-fluoro-6-(3-propylphenyl)benzoic acid
CID 114560373
[3-(3-propylphenyl)phenyl]methanamine
CID 1392934
5-fluoro-2-(3-propylphenyl)benzoic acid
CID 116545164
2-(4-hydroxy-3-propylphenyl)-6-propylphenol
CID 54407839
2-ethyl-5-propylphenol
CID 522454

Frequently Asked Questions

What is the IUPAC name of 4-propyl-6-(3-propylphenyl)benzene-1,3-diol?
The IUPAC name of 4-propyl-6-(3-propylphenyl)benzene-1,3-diol (CID 71009376) is 4-propyl-6-(3-propylphenyl)benzene-1,3-diol.
What is the SMILES notation for 4-propyl-6-(3-propylphenyl)benzene-1,3-diol?
The canonical SMILES for 4-propyl-6-(3-propylphenyl)benzene-1,3-diol is CCCc1cccc(-c2cc(CCC)c(O)cc2O)c1.
What is the InChIKey of 4-propyl-6-(3-propylphenyl)benzene-1,3-diol?
The InChIKey is DYQRZHZDDBKDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-3-6-13-8-5-9-14(10-13)16-11-15(7-4-2)17(19)12-18(16)20/h5,8-12,19-20H,3-4,6-7H2,1-2H3.
What are the key properties of 4-propyl-6-(3-propylphenyl)benzene-1,3-diol?
4-propyl-6-(3-propylphenyl)benzene-1,3-diol has a molecular weight of 270.37 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-6-(3-propylphenyl)benzene-1,3-diol is sourced from PubChem (CID 71009376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).