2-[(Z)-3-chloro-2-methylprop-2-enyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid

C15H17ClO2 — CID 114188987

IUPAC2-[(Z)-3-chloro-2-methylprop-2-enyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESC/C(=C/Cl)CC1(C(=O)O)CCc2ccccc2C1
InChIInChI=1S/C15H17ClO2/c1-11(10-16)8-15(14(17)18)7-6-12-4-2-3-5-13(12)9-15/h2-5,10H,6-9H2,1H3,(H,17,18)/b11-10-
InChIKeyFXWLOYIHPLKBRH-KHPPLWFESA-N
MW264.75 g/mol
LogP3.78
Rot. Bonds3

About 2-[(Z)-3-chloro-2-methylprop-2-enyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid

2-[(Z)-3-chloro-2-methylprop-2-enyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid (PubChem CID 114188987) has the molecular formula C15H17ClO2 and a molecular weight of 264.75 g/mol. Its IUPAC name is 2-[(Z)-3-chloro-2-methylprop-2-enyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name2-[(Z)-3-chloro-2-methylprop-2-enyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
PubChem CID114188987
Molecular FormulaC15H17ClO2
Molecular Weight264.75 g/mol
Exact Mass264.09
IUPAC Name2-[(Z)-3-chloro-2-methylprop-2-enyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESC/C(=C/Cl)CC1(C(=O)O)CCc2ccccc2C1
InChIInChI=1S/C15H17ClO2/c1-11(10-16)8-15(14(17)18)7-6-12-4-2-3-5-13(12)9-15/h2-5,10H,6-9H2,1H3,(H,17,18)/b11-10-
InChIKeyFXWLOYIHPLKBRH-KHPPLWFESA-N
XLogP3.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.75
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(Z)-3-chloro-2-methylprop-2-enyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3-chloro-2-methylprop-2-enyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The IUPAC name of 2-[(Z)-3-chloro-2-methylprop-2-enyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid (CID 114188987) is 2-[(Z)-3-chloro-2-methylprop-2-enyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid.
What is the SMILES notation for 2-[(Z)-3-chloro-2-methylprop-2-enyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The canonical SMILES for 2-[(Z)-3-chloro-2-methylprop-2-enyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid is C/C(=C/Cl)CC1(C(=O)O)CCc2ccccc2C1.
What is the InChIKey of 2-[(Z)-3-chloro-2-methylprop-2-enyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The InChIKey is FXWLOYIHPLKBRH-KHPPLWFESA-N. The full InChI is InChI=1S/C15H17ClO2/c1-11(10-16)8-15(14(17)18)7-6-12-4-2-3-5-13(12)9-15/h2-5,10H,6-9H2,1H3,(H,17,18)/b11-10-.
What are the key properties of 2-[(Z)-3-chloro-2-methylprop-2-enyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
2-[(Z)-3-chloro-2-methylprop-2-enyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid has a molecular weight of 264.75 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-chloro-2-methylprop-2-enyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 114188987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).