2-[1-[4-methoxy-3,5-di(propan-2-yl)phenyl]cyclopropyl]acetic acid

C18H26O3 — CID 117469305

IUPAC2-[1-[4-methoxy-3,5-di(propan-2-yl)phenyl]cyclopropyl]acetic acid
SMILESCOc1c(C(C)C)cc(C2(CC(=O)O)CC2)cc1C(C)C
InChIInChI=1S/C18H26O3/c1-11(2)14-8-13(18(6-7-18)10-16(19)20)9-15(12(3)4)17(14)21-5/h8-9,11-12H,6-7,10H2,1-5H3,(H,19,20)
InChIKeySMNVEHMZOIQAJD-UHFFFAOYSA-N
MW290.40 g/mol
LogP4.45
Rot. Bonds6

About 2-[1-[4-methoxy-3,5-di(propan-2-yl)phenyl]cyclopropyl]acetic acid

2-[1-[4-methoxy-3,5-di(propan-2-yl)phenyl]cyclopropyl]acetic acid (PubChem CID 117469305) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is 2-[1-[4-methoxy-3,5-di(propan-2-yl)phenyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-methoxy-3,5-di(propan-2-yl)phenyl]cyclopropyl]acetic acid
PubChem CID117469305
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name2-[1-[4-methoxy-3,5-di(propan-2-yl)phenyl]cyclopropyl]acetic acid
SMILESCOc1c(C(C)C)cc(C2(CC(=O)O)CC2)cc1C(C)C
InChIInChI=1S/C18H26O3/c1-11(2)14-8-13(18(6-7-18)10-16(19)20)9-15(12(3)4)17(14)21-5/h8-9,11-12H,6-7,10H2,1-5H3,(H,19,20)
InChIKeySMNVEHMZOIQAJD-UHFFFAOYSA-N
XLogP4.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3-ethyl-4-methoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid
CID 117442730
2-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid
CID 117446176
2-[1-(3-bromo-5-fluoro-4-methoxyphenyl)cyclopropyl]acetic acid
CID 117487851
2-[1-(3-cyano-5-fluoro-4-methoxyphenyl)cyclopropyl]acetic acid
CID 117375408
[1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclopropyl]methanamine
CID 117339009
2-[1-(2,3,4-trimethoxyphenyl)cyclopropyl]acetic acid
CID 115003452
2-[1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropyl]acetic acid
CID 117383717
2-[1-(3-methoxyphenyl)cyclopropyl]acetic acid
CID 82077265
4-methoxy-3,5-di(propan-2-yl)benzoic acid
CID 15895030
2-[1-(3-bromo-5-methoxy-4-methylphenyl)cyclopropyl]acetic acid
CID 84816122
2-[1-(4-methoxy-3-methylsulfanylphenyl)cyclopropyl]acetic acid
CID 117384277
2-[1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid
CID 117415098

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-methoxy-3,5-di(propan-2-yl)phenyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[4-methoxy-3,5-di(propan-2-yl)phenyl]cyclopropyl]acetic acid (CID 117469305) is 2-[1-[4-methoxy-3,5-di(propan-2-yl)phenyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[4-methoxy-3,5-di(propan-2-yl)phenyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[4-methoxy-3,5-di(propan-2-yl)phenyl]cyclopropyl]acetic acid is COc1c(C(C)C)cc(C2(CC(=O)O)CC2)cc1C(C)C.
What is the InChIKey of 2-[1-[4-methoxy-3,5-di(propan-2-yl)phenyl]cyclopropyl]acetic acid?
The InChIKey is SMNVEHMZOIQAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-11(2)14-8-13(18(6-7-18)10-16(19)20)9-15(12(3)4)17(14)21-5/h8-9,11-12H,6-7,10H2,1-5H3,(H,19,20).
What are the key properties of 2-[1-[4-methoxy-3,5-di(propan-2-yl)phenyl]cyclopropyl]acetic acid?
2-[1-[4-methoxy-3,5-di(propan-2-yl)phenyl]cyclopropyl]acetic acid has a molecular weight of 290.40 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-methoxy-3,5-di(propan-2-yl)phenyl]cyclopropyl]acetic acid is sourced from PubChem (CID 117469305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).