(Z)-3-[2-(naphthalen-2-ylmethyl)phenyl]prop-2-enoic acid

C20H16O2 — CID 177483326

IUPAC(Z)-3-[2-(naphthalen-2-ylmethyl)phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C\c1ccccc1Cc1ccc2ccccc2c1
InChIInChI=1S/C20H16O2/c21-20(22)12-11-17-6-2-4-8-19(17)14-15-9-10-16-5-1-3-7-18(16)13-15/h1-13H,14H2,(H,21,22)/b12-11-
InChIKeyMOLQZQYMXCCLHS-QXMHVHEDSA-N
MW288.35 g/mol
LogP4.53
Rot. Bonds4

About (Z)-3-[2-(naphthalen-2-ylmethyl)phenyl]prop-2-enoic acid

(Z)-3-[2-(naphthalen-2-ylmethyl)phenyl]prop-2-enoic acid (PubChem CID 177483326) has the molecular formula C20H16O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (Z)-3-[2-(naphthalen-2-ylmethyl)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-[2-(naphthalen-2-ylmethyl)phenyl]prop-2-enoic acid
PubChem CID177483326
Molecular FormulaC20H16O2
Molecular Weight288.35 g/mol
Exact Mass288.12
IUPAC Name(Z)-3-[2-(naphthalen-2-ylmethyl)phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C\c1ccccc1Cc1ccc2ccccc2c1
InChIInChI=1S/C20H16O2/c21-20(22)12-11-17-6-2-4-8-19(17)14-15-9-10-16-5-1-3-7-18(16)13-15/h1-13H,14H2,(H,21,22)/b12-11-
InChIKeyMOLQZQYMXCCLHS-QXMHVHEDSA-N
XLogP4.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2-benzylphenyl)prop-2-enoic acid
CID 22364524
3-[2-[(3,4-dichlorophenyl)methyl]phenyl]prop-2-enoic acid
CID 70229565
(E)-3-[2-[(2-hydroxyphenyl)methyl]phenyl]prop-2-enoic acid
CID 67513277
(Z)-5-naphthalen-2-yl-4-oxopent-2-enoic acid
CID 59268445
(E)-3-[2-[[3-(2-phenylethylsulfanylmethyl)phenyl]methyl]phenyl]prop-2-enoic acid
CID 101104440
(E)-3-(2-ethylphenyl)prop-2-enoic acid
CID 6198622
(E)-4-naphthalen-2-ylbut-2-enoic acid
CID 11789094
3-[2-(bromomethyl)phenyl]prop-2-enoic acid
CID 54011364
(E)-3-[2-(3-oxopropyl)phenyl]prop-2-enoic acid
CID 166641973
(E)-3-[2-[(dimethylamino)methyl]phenyl]prop-2-enoic acid
CID 82239064
2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480
3-[2-[(4-methoxyphenyl)sulfanylmethyl]phenyl]prop-2-enoic acid
CID 76908806

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[2-(naphthalen-2-ylmethyl)phenyl]prop-2-enoic acid?
The IUPAC name of (Z)-3-[2-(naphthalen-2-ylmethyl)phenyl]prop-2-enoic acid (CID 177483326) is (Z)-3-[2-(naphthalen-2-ylmethyl)phenyl]prop-2-enoic acid.
What is the SMILES notation for (Z)-3-[2-(naphthalen-2-ylmethyl)phenyl]prop-2-enoic acid?
The canonical SMILES for (Z)-3-[2-(naphthalen-2-ylmethyl)phenyl]prop-2-enoic acid is O=C(O)/C=C\c1ccccc1Cc1ccc2ccccc2c1.
What is the InChIKey of (Z)-3-[2-(naphthalen-2-ylmethyl)phenyl]prop-2-enoic acid?
The InChIKey is MOLQZQYMXCCLHS-QXMHVHEDSA-N. The full InChI is InChI=1S/C20H16O2/c21-20(22)12-11-17-6-2-4-8-19(17)14-15-9-10-16-5-1-3-7-18(16)13-15/h1-13H,14H2,(H,21,22)/b12-11-.
What are the key properties of (Z)-3-[2-(naphthalen-2-ylmethyl)phenyl]prop-2-enoic acid?
(Z)-3-[2-(naphthalen-2-ylmethyl)phenyl]prop-2-enoic acid has a molecular weight of 288.35 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[2-(naphthalen-2-ylmethyl)phenyl]prop-2-enoic acid is sourced from PubChem (CID 177483326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).