4-hydroxybenzoic acid;3-methylheptane

C15H24O3 — CID 66663294

IUPAC4-hydroxybenzoic acid;3-methylheptane
SMILESCCCCC(C)CC.O=C(O)c1ccc(O)cc1
InChIInChI=1S/C8H18.C7H6O3/c1-4-6-7-8(3)5-2;8-6-3-1-5(2-4-6)7(9)10/h8H,4-7H2,1-3H3;1-4,8H,(H,9,10)
InChIKeyVGWZJYSLWSWNGL-UHFFFAOYSA-N
MW252.35 g/mol
LogP4.31
Rot. Bonds5

About 4-hydroxybenzoic acid;3-methylheptane

4-hydroxybenzoic acid;3-methylheptane (PubChem CID 66663294) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 4-hydroxybenzoic acid;3-methylheptane.

Molecular Properties

Compound Name4-hydroxybenzoic acid;3-methylheptane
PubChem CID66663294
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name4-hydroxybenzoic acid;3-methylheptane
SMILESCCCCC(C)CC.O=C(O)c1ccc(O)cc1
InChIInChI=1S/C8H18.C7H6O3/c1-4-6-7-8(3)5-2;8-6-3-1-5(2-4-6)7(9)10/h8H,4-7H2,1-3H3;1-4,8H,(H,9,10)
InChIKeyVGWZJYSLWSWNGL-UHFFFAOYSA-N
XLogP4.31
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

hexadecane;4-hydroxybenzoic acid
CID 66671223
4-[(5S)-5-methylnonyl]benzoic acid
CID 18641316
butane;3-methylheptane;4-methylphenol
CID 155694275
5-tert-butyl-3-ethyl-2,2-dimethylnonane;4-hydroxybenzoic acid
CID 70572176
diphenylmethanone;3-methylheptane
CID 174880774
4-[4-(4-methylhexyl)phenyl]benzoic acid
CID 19028475
4-[(4S)-4-methylhexoxy]benzoic acid;hydrochloride
CID 67933335
4-hydroxy(11C)benzoic acid
CID 11275035
4-hexan-2-yloxybenzoic acid
CID 19593666
2-methylpentane-1,5-diol;terephthalic acid
CID 174949812
4-(5-methylheptan-2-yloxycarbonyl)benzoic acid
CID 174716947
4-(3-ethylheptan-2-yloxycarbonyl)benzoic acid
CID 118306854

Frequently Asked Questions

What is the IUPAC name of 4-hydroxybenzoic acid;3-methylheptane?
The IUPAC name of 4-hydroxybenzoic acid;3-methylheptane (CID 66663294) is 4-hydroxybenzoic acid;3-methylheptane.
What is the SMILES notation for 4-hydroxybenzoic acid;3-methylheptane?
The canonical SMILES for 4-hydroxybenzoic acid;3-methylheptane is CCCCC(C)CC.O=C(O)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxybenzoic acid;3-methylheptane?
The InChIKey is VGWZJYSLWSWNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.C7H6O3/c1-4-6-7-8(3)5-2;8-6-3-1-5(2-4-6)7(9)10/h8H,4-7H2,1-3H3;1-4,8H,(H,9,10).
What are the key properties of 4-hydroxybenzoic acid;3-methylheptane?
4-hydroxybenzoic acid;3-methylheptane has a molecular weight of 252.35 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybenzoic acid;3-methylheptane is sourced from PubChem (CID 66663294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).