(1S)-2,2-bis(4-methoxyphenyl)cyclopropane-1-carboxylic acid

C18H18O4 — CID 129362220

IUPAC(1S)-2,2-bis(4-methoxyphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1ccc(C2(c3ccc(OC)cc3)C[C@@H]2C(=O)O)cc1
InChIInChI=1S/C18H18O4/c1-21-14-7-3-12(4-8-14)18(11-16(18)17(19)20)13-5-9-15(22-2)10-6-13/h3-10,16H,11H2,1-2H3,(H,19,20)/t16-/m1/s1
InChIKeyAVBWPAOLYUEVNS-MRXNPFEDSA-N
MW298.34 g/mol
LogP3.09
Rot. Bonds5

About (1S)-2,2-bis(4-methoxyphenyl)cyclopropane-1-carboxylic acid

(1S)-2,2-bis(4-methoxyphenyl)cyclopropane-1-carboxylic acid (PubChem CID 129362220) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is (1S)-2,2-bis(4-methoxyphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name(1S)-2,2-bis(4-methoxyphenyl)cyclopropane-1-carboxylic acid
PubChem CID129362220
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name(1S)-2,2-bis(4-methoxyphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1ccc(C2(c3ccc(OC)cc3)C[C@@H]2C(=O)O)cc1
InChIInChI=1S/C18H18O4/c1-21-14-7-3-12(4-8-14)18(11-16(18)17(19)20)13-5-9-15(22-2)10-6-13/h3-10,16H,11H2,1-2H3,(H,19,20)/t16-/m1/s1
InChIKeyAVBWPAOLYUEVNS-MRXNPFEDSA-N
XLogP3.09
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-2,2-bis(4-fluorophenyl)cyclopropane-1-carboxylic acid
CID 129382428
(1S)-N-(4-methoxyphenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide
CID 2260163
2-(6-methoxynaphthalen-2-yl)-2-methylcyclopropane-1-carboxylic acid
CID 62387826
2-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxylic acid
CID 63271050
(1S)-N-[1-(4-methoxyphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 1378728
2,2-bis(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid
CID 174934692
(1S)-N-(3-methoxyphenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 780566
(1R,5S)-1-(4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 12719822
1-adamantyl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 4205495
(1R)-4-(4-methoxyphenyl)-2,2-dimethylcyclohex-3-ene-1-carboxylic acid
CID 125490358
methyl 3-amino-1-(4-methoxyphenyl)cyclobutane-1-carboxylate
CID 115040738
1-(4-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid
CID 65000749

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-bis(4-methoxyphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of (1S)-2,2-bis(4-methoxyphenyl)cyclopropane-1-carboxylic acid (CID 129362220) is (1S)-2,2-bis(4-methoxyphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for (1S)-2,2-bis(4-methoxyphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for (1S)-2,2-bis(4-methoxyphenyl)cyclopropane-1-carboxylic acid is COc1ccc(C2(c3ccc(OC)cc3)C[C@@H]2C(=O)O)cc1.
What is the InChIKey of (1S)-2,2-bis(4-methoxyphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is AVBWPAOLYUEVNS-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H18O4/c1-21-14-7-3-12(4-8-14)18(11-16(18)17(19)20)13-5-9-15(22-2)10-6-13/h3-10,16H,11H2,1-2H3,(H,19,20)/t16-/m1/s1.
What are the key properties of (1S)-2,2-bis(4-methoxyphenyl)cyclopropane-1-carboxylic acid?
(1S)-2,2-bis(4-methoxyphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-bis(4-methoxyphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 129362220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).