sodium 2-[3-(3-methyl-2-phenylmethoxyphenyl)prop-1-enyl]benzoate

C24H21NaO3 — CID 70194368

IUPACsodium 2-[3-(3-methyl-2-phenylmethoxyphenyl)prop-1-enyl]benzoate
SMILESCc1cccc(CC=Cc2ccccc2C(=O)[O-])c1OCc1ccccc1.[Na+]
InChIInChI=1S/C24H22O3.Na/c1-18-9-7-14-21(23(18)27-17-19-10-3-2-4-11-19)15-8-13-20-12-5-6-16-22(20)24(25)26;/h2-14,16H,15,17H2,1H3,(H,25,26);/q;+1/p-1
InChIKeyLSCDXVBRCAWNHY-UHFFFAOYSA-M
MW380.42 g/mol
LogP1.20
Rot. Bonds7

About sodium 2-[3-(3-methyl-2-phenylmethoxyphenyl)prop-1-enyl]benzoate

sodium 2-[3-(3-methyl-2-phenylmethoxyphenyl)prop-1-enyl]benzoate (PubChem CID 70194368) has the molecular formula C24H21NaO3 and a molecular weight of 380.42 g/mol. Its IUPAC name is sodium 2-[3-(3-methyl-2-phenylmethoxyphenyl)prop-1-enyl]benzoate.

Molecular Properties

Compound Namesodium 2-[3-(3-methyl-2-phenylmethoxyphenyl)prop-1-enyl]benzoate
PubChem CID70194368
Molecular FormulaC24H21NaO3
Molecular Weight380.42 g/mol
Exact Mass380.14
IUPAC Namesodium 2-[3-(3-methyl-2-phenylmethoxyphenyl)prop-1-enyl]benzoate
SMILESCc1cccc(CC=Cc2ccccc2C(=O)[O-])c1OCc1ccccc1.[Na+]
InChIInChI=1S/C24H22O3.Na/c1-18-9-7-14-21(23(18)27-17-19-10-3-2-4-11-19)15-8-13-20-12-5-6-16-22(20)24(25)26;/h2-14,16H,15,17H2,1H3,(H,25,26);/q;+1/p-1
InChIKeyLSCDXVBRCAWNHY-UHFFFAOYSA-M
XLogP1.20
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-3-[2-[(E)-3-(3-methyl-2-phenylmethoxyphenyl)prop-2-enyl]phenyl]prop-2-enoic acid
CID 177394231
2-hydroxy-3-methylbenzaldehyde;3-methyl-2-phenylmethoxybenzaldehyde
CID 158370416
2-phenylmethoxy-3-prop-1-enylbenzoic acid
CID 71318162
8-methyl-4-phenylmethoxynaphthalene-2-carboxylic acid
CID 118562139
tert-butyl N-(2-methyl-6-phenylmethoxyphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 175096452
N-(2-ethyl-6-methylphenyl)-2-phenylmethoxybenzamide
CID 4946399
1-methoxy-2,3,6-trimethyl-4-phenylmethoxy-5-[(E)-3-(2-phenylmethoxyphenyl)prop-1-enyl]benzene
CID 142628301
methyl 2-[(E)-3-(5-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)prop-1-enyl]benzoate
CID 14397657
(2-methyl-6-phenylmethoxyphenyl) acetate
CID 67719682
2-[(3,5-dimethylphenyl)methoxy]-3-methylbenzoic acid
CID 60911444
(E)-3-[3-methyl-2-(pyridin-4-ylmethoxy)phenyl]prop-2-enoic acid
CID 115957332
8-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate
CID 7139650

Frequently Asked Questions

What is the IUPAC name of sodium 2-[3-(3-methyl-2-phenylmethoxyphenyl)prop-1-enyl]benzoate?
The IUPAC name of sodium 2-[3-(3-methyl-2-phenylmethoxyphenyl)prop-1-enyl]benzoate (CID 70194368) is sodium 2-[3-(3-methyl-2-phenylmethoxyphenyl)prop-1-enyl]benzoate.
What is the SMILES notation for sodium 2-[3-(3-methyl-2-phenylmethoxyphenyl)prop-1-enyl]benzoate?
The canonical SMILES for sodium 2-[3-(3-methyl-2-phenylmethoxyphenyl)prop-1-enyl]benzoate is Cc1cccc(CC=Cc2ccccc2C(=O)[O-])c1OCc1ccccc1.[Na+].
What is the InChIKey of sodium 2-[3-(3-methyl-2-phenylmethoxyphenyl)prop-1-enyl]benzoate?
The InChIKey is LSCDXVBRCAWNHY-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H22O3.Na/c1-18-9-7-14-21(23(18)27-17-19-10-3-2-4-11-19)15-8-13-20-12-5-6-16-22(20)24(25)26;/h2-14,16H,15,17H2,1H3,(H,25,26);/q;+1/p-1.
What are the key properties of sodium 2-[3-(3-methyl-2-phenylmethoxyphenyl)prop-1-enyl]benzoate?
sodium 2-[3-(3-methyl-2-phenylmethoxyphenyl)prop-1-enyl]benzoate has a molecular weight of 380.42 g/mol, XLogP of 1.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[3-(3-methyl-2-phenylmethoxyphenyl)prop-1-enyl]benzoate is sourced from PubChem (CID 70194368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).