10-(1-hydroxynaphthalen-2-yl)decanoic acid

C20H26O3 — CID 151914986

IUPAC10-(1-hydroxynaphthalen-2-yl)decanoic acid
SMILESO=C(O)CCCCCCCCCc1ccc2ccccc2c1O
InChIInChI=1S/C20H26O3/c21-19(22)13-7-5-3-1-2-4-6-11-17-15-14-16-10-8-9-12-18(16)20(17)23/h8-10,12,14-15,23H,1-7,11,13H2,(H,21,22)
InChIKeySVOPPUUACIHYRQ-UHFFFAOYSA-N
MW314.43 g/mol
LogP5.29
Rot. Bonds10

About 10-(1-hydroxynaphthalen-2-yl)decanoic acid

10-(1-hydroxynaphthalen-2-yl)decanoic acid (PubChem CID 151914986) has the molecular formula C20H26O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is 10-(1-hydroxynaphthalen-2-yl)decanoic acid.

Molecular Properties

Compound Name10-(1-hydroxynaphthalen-2-yl)decanoic acid
PubChem CID151914986
Molecular FormulaC20H26O3
Molecular Weight314.43 g/mol
Exact Mass314.19
IUPAC Name10-(1-hydroxynaphthalen-2-yl)decanoic acid
SMILESO=C(O)CCCCCCCCCc1ccc2ccccc2c1O
InChIInChI=1S/C20H26O3/c21-19(22)13-7-5-3-1-2-4-6-11-17-15-14-16-10-8-9-12-18(16)20(17)23/h8-10,12,14-15,23H,1-7,11,13H2,(H,21,22)
InChIKeySVOPPUUACIHYRQ-UHFFFAOYSA-N
XLogP5.29
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 55.29
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

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10-naphthalen-2-yldecanoic acid
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11-acridin-9-ylundecanoic acid
CID 10737446
4-pyren-1-ylbutanoic acid
CID 158173508
(Z)-18-pyren-1-yloctadec-9-enoic acid
CID 141412763
4-[2-(12-bromododecyl)phenyl]butanoic acid
CID 23352565
16-(2-chlorophenyl)hexadecanoic acid
CID 174356057
2-(17-carboxyheptadecyl)benzoic acid
CID 19770577
15-phenylpentadecanoic acid
CID 2737151
heptanedioic acid;naphthalene-1,2-dicarboxylic acid
CID 70413423

Frequently Asked Questions

What is the IUPAC name of 10-(1-hydroxynaphthalen-2-yl)decanoic acid?
The IUPAC name of 10-(1-hydroxynaphthalen-2-yl)decanoic acid (CID 151914986) is 10-(1-hydroxynaphthalen-2-yl)decanoic acid.
What is the SMILES notation for 10-(1-hydroxynaphthalen-2-yl)decanoic acid?
The canonical SMILES for 10-(1-hydroxynaphthalen-2-yl)decanoic acid is O=C(O)CCCCCCCCCc1ccc2ccccc2c1O.
What is the InChIKey of 10-(1-hydroxynaphthalen-2-yl)decanoic acid?
The InChIKey is SVOPPUUACIHYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O3/c21-19(22)13-7-5-3-1-2-4-6-11-17-15-14-16-10-8-9-12-18(16)20(17)23/h8-10,12,14-15,23H,1-7,11,13H2,(H,21,22).
What are the key properties of 10-(1-hydroxynaphthalen-2-yl)decanoic acid?
10-(1-hydroxynaphthalen-2-yl)decanoic acid has a molecular weight of 314.43 g/mol, XLogP of 5.29, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1-hydroxynaphthalen-2-yl)decanoic acid is sourced from PubChem (CID 151914986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).