5-naphthalen-2-yl-3-phenylhex-5-enoic acid

C22H20O2 — CID 89077119

IUPAC5-naphthalen-2-yl-3-phenylhex-5-enoic acid
SMILESC=C(CC(CC(=O)O)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C22H20O2/c1-16(19-12-11-18-9-5-6-10-20(18)14-19)13-21(15-22(23)24)17-7-3-2-4-8-17/h2-12,14,21H,1,13,15H2,(H,23,24)
InChIKeyQPULRBWIKYDEAP-UHFFFAOYSA-N
MW316.40 g/mol
LogP5.50
Rot. Bonds6

About 5-naphthalen-2-yl-3-phenylhex-5-enoic acid

5-naphthalen-2-yl-3-phenylhex-5-enoic acid (PubChem CID 89077119) has the molecular formula C22H20O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 5-naphthalen-2-yl-3-phenylhex-5-enoic acid.

Molecular Properties

Compound Name5-naphthalen-2-yl-3-phenylhex-5-enoic acid
PubChem CID89077119
Molecular FormulaC22H20O2
Molecular Weight316.40 g/mol
Exact Mass316.15
IUPAC Name5-naphthalen-2-yl-3-phenylhex-5-enoic acid
SMILESC=C(CC(CC(=O)O)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C22H20O2/c1-16(19-12-11-18-9-5-6-10-20(18)14-19)13-21(15-22(23)24)17-7-3-2-4-8-17/h2-12,14,21H,1,13,15H2,(H,23,24)
InChIKeyQPULRBWIKYDEAP-UHFFFAOYSA-N
XLogP5.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.40
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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formaldehyde;naphthalene-2-carboxylic acid
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1-naphthalen-2-yl-3-phenylbut-3-en-1-ol
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4-naphthalen-2-yl-4-oxo-3-pyridin-4-ylbutanoic acid
CID 22185202
1-naphthalen-2-yl-2,4-diphenylbutane-1,4-dione
CID 102389148
naphthalene-2-carboxylic acid
CID 175967775
(3S)-3-amino-3-naphthalen-2-ylpropanoic acid
CID 7016475
(3S)-3-naphthalen-2-ylbutanoic acid
CID 11350489
2-amino-1-naphthalen-2-yl-2-phenylethanone
CID 116551211
3-(1-methylpyridin-1-ium-4-yl)-1,5-dinaphthalen-2-ylpentane-1,5-dione tetrafluoroborate
CID 62707027
6-naphthalen-2-ylhept-6-en-3-one
CID 102346591

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-yl-3-phenylhex-5-enoic acid?
The IUPAC name of 5-naphthalen-2-yl-3-phenylhex-5-enoic acid (CID 89077119) is 5-naphthalen-2-yl-3-phenylhex-5-enoic acid.
What is the SMILES notation for 5-naphthalen-2-yl-3-phenylhex-5-enoic acid?
The canonical SMILES for 5-naphthalen-2-yl-3-phenylhex-5-enoic acid is C=C(CC(CC(=O)O)c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of 5-naphthalen-2-yl-3-phenylhex-5-enoic acid?
The InChIKey is QPULRBWIKYDEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O2/c1-16(19-12-11-18-9-5-6-10-20(18)14-19)13-21(15-22(23)24)17-7-3-2-4-8-17/h2-12,14,21H,1,13,15H2,(H,23,24).
What are the key properties of 5-naphthalen-2-yl-3-phenylhex-5-enoic acid?
5-naphthalen-2-yl-3-phenylhex-5-enoic acid has a molecular weight of 316.40 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-2-yl-3-phenylhex-5-enoic acid is sourced from PubChem (CID 89077119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).