(2R)-2-(4-naphthalen-2-ylpent-3-enoxy)butanedioic acid

C19H20O5 — CID 67581402

IUPAC(2R)-2-(4-naphthalen-2-ylpent-3-enoxy)butanedioic acid
SMILESCC(=CCCO[C@H](CC(=O)O)C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C19H20O5/c1-13(5-4-10-24-17(19(22)23)12-18(20)21)15-9-8-14-6-2-3-7-16(14)11-15/h2-3,5-9,11,17H,4,10,12H2,1H3,(H,20,21)(H,22,23)/t17-/m1/s1
InChIKeyKMLFQYHIYNAWBV-QGZVFWFLSA-N
MW328.36 g/mol
LogP3.58
Rot. Bonds8

About (2R)-2-(4-naphthalen-2-ylpent-3-enoxy)butanedioic acid

(2R)-2-(4-naphthalen-2-ylpent-3-enoxy)butanedioic acid (PubChem CID 67581402) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is (2R)-2-(4-naphthalen-2-ylpent-3-enoxy)butanedioic acid.

Molecular Properties

Compound Name(2R)-2-(4-naphthalen-2-ylpent-3-enoxy)butanedioic acid
PubChem CID67581402
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Name(2R)-2-(4-naphthalen-2-ylpent-3-enoxy)butanedioic acid
SMILESCC(=CCCO[C@H](CC(=O)O)C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C19H20O5/c1-13(5-4-10-24-17(19(22)23)12-18(20)21)15-9-8-14-6-2-3-7-16(14)11-15/h2-3,5-9,11,17H,4,10,12H2,1H3,(H,20,21)(H,22,23)/t17-/m1/s1
InChIKeyKMLFQYHIYNAWBV-QGZVFWFLSA-N
XLogP3.58
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-2-(4-naphthalen-2-ylpent-3-enoxy)butanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-phenoxybut-2-en-2-yl)naphthalene
CID 141037566
(E)-2-naphthalen-2-ylprop-1-en-1-ol
CID 70376926
2-[(2Z,8E)-undeca-2,8-dien-2-yl]naphthalene
CID 172611470
2-[(8Z)-undeca-2,8-dien-2-yl]naphthalene
CID 172611459
2-[(2E)-5-methylhexa-2,5-dien-2-yl]naphthalene;1,4-xylene
CID 142975570
methyl 3-naphthalen-2-ylbut-2-enoate
CID 54449907
[(E)-4-phenylpent-3-enyl] hydrogen carbonate
CID 70193695
3-naphthalen-2-ylbut-2-enoyl chloride
CID 91215732
2-(1-phenoxyprop-1-en-2-yl)naphthalene
CID 175768409
5-naphthalen-2-yl-3-phenylhex-5-enoic acid
CID 89077119
methyl (2E,4E)-2-methoxy-5-naphthalen-2-ylhexa-2,4-dienoate
CID 139785095
(Z,2R)-2-(naphthalene-2-carbonyloxy)dec-4-enoic acid
CID 102123848

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-naphthalen-2-ylpent-3-enoxy)butanedioic acid?
The IUPAC name of (2R)-2-(4-naphthalen-2-ylpent-3-enoxy)butanedioic acid (CID 67581402) is (2R)-2-(4-naphthalen-2-ylpent-3-enoxy)butanedioic acid.
What is the SMILES notation for (2R)-2-(4-naphthalen-2-ylpent-3-enoxy)butanedioic acid?
The canonical SMILES for (2R)-2-(4-naphthalen-2-ylpent-3-enoxy)butanedioic acid is CC(=CCCO[C@H](CC(=O)O)C(=O)O)c1ccc2ccccc2c1.
What is the InChIKey of (2R)-2-(4-naphthalen-2-ylpent-3-enoxy)butanedioic acid?
The InChIKey is KMLFQYHIYNAWBV-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20O5/c1-13(5-4-10-24-17(19(22)23)12-18(20)21)15-9-8-14-6-2-3-7-16(14)11-15/h2-3,5-9,11,17H,4,10,12H2,1H3,(H,20,21)(H,22,23)/t17-/m1/s1.
What are the key properties of (2R)-2-(4-naphthalen-2-ylpent-3-enoxy)butanedioic acid?
(2R)-2-(4-naphthalen-2-ylpent-3-enoxy)butanedioic acid has a molecular weight of 328.36 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-naphthalen-2-ylpent-3-enoxy)butanedioic acid is sourced from PubChem (CID 67581402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).