heptan-3-ol;2-hydroxybenzoic acid

C14H22O4 — CID 158076933

IUPACheptan-3-ol;2-hydroxybenzoic acid
SMILESCCCCC(O)CC.O=C(O)c1ccccc1O
InChIInChI=1S/C7H6O3.C7H16O/c8-6-4-2-1-3-5(6)7(9)10;1-3-5-6-7(8)4-2/h1-4,8H,(H,9,10);7-8H,3-6H2,1-2H3
InChIKeyBJZDPSJZYXAOBW-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.04
Rot. Bonds5

About heptan-3-ol;2-hydroxybenzoic acid

heptan-3-ol;2-hydroxybenzoic acid (PubChem CID 158076933) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is heptan-3-ol;2-hydroxybenzoic acid.

Molecular Properties

Compound Nameheptan-3-ol;2-hydroxybenzoic acid
PubChem CID158076933
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Nameheptan-3-ol;2-hydroxybenzoic acid
SMILESCCCCC(O)CC.O=C(O)c1ccccc1O
InChIInChI=1S/C7H6O3.C7H16O/c8-6-4-2-1-3-5(6)7(9)10;1-3-5-6-7(8)4-2/h1-4,8H,(H,9,10);7-8H,3-6H2,1-2H3
InChIKeyBJZDPSJZYXAOBW-UHFFFAOYSA-N
XLogP3.04
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of heptan-3-ol;2-hydroxybenzoic acid?
The IUPAC name of heptan-3-ol;2-hydroxybenzoic acid (CID 158076933) is heptan-3-ol;2-hydroxybenzoic acid.
What is the SMILES notation for heptan-3-ol;2-hydroxybenzoic acid?
The canonical SMILES for heptan-3-ol;2-hydroxybenzoic acid is CCCCC(O)CC.O=C(O)c1ccccc1O.
What is the InChIKey of heptan-3-ol;2-hydroxybenzoic acid?
The InChIKey is BJZDPSJZYXAOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3.C7H16O/c8-6-4-2-1-3-5(6)7(9)10;1-3-5-6-7(8)4-2/h1-4,8H,(H,9,10);7-8H,3-6H2,1-2H3.
What are the key properties of heptan-3-ol;2-hydroxybenzoic acid?
heptan-3-ol;2-hydroxybenzoic acid has a molecular weight of 254.33 g/mol, XLogP of 3.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for heptan-3-ol;2-hydroxybenzoic acid is sourced from PubChem (CID 158076933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).