2-[1-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid

C15H18O3 — CID 117107682

IUPAC2-[1-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2cccc(C3(CO)CC3)c2)CC1
InChIInChI=1S/C15H18O3/c16-10-15(6-7-15)12-3-1-2-11(8-12)14(4-5-14)9-13(17)18/h1-3,8,16H,4-7,9-10H2,(H,17,18)
InChIKeyOWNBHRWJJRDTBA-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.22
Rot. Bonds5

About 2-[1-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid

2-[1-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid (PubChem CID 117107682) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[1-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
PubChem CID117107682
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name2-[1-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2cccc(C3(CO)CC3)c2)CC1
InChIInChI=1S/C15H18O3/c16-10-15(6-7-15)12-3-1-2-11(8-12)14(4-5-14)9-13(17)18/h1-3,8,16H,4-7,9-10H2,(H,17,18)
InChIKeyOWNBHRWJJRDTBA-UHFFFAOYSA-N
XLogP2.22
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[1-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[1-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
CID 117107684
ethane;2-[1-(3-methylphenyl)cyclopropyl]acetic acid
CID 170751280
2-[1-(3-methoxyphenyl)cyclopropyl]acetic acid
CID 82077265
[1-[3-[1-(aminomethyl)cyclopropyl]phenyl]cyclopropyl]methanol
CID 117112180
2-[1-(3-bromophenyl)cyclopentyl]acetic acid
CID 68971554
2-[1-[3-(methylsulfonylmethyl)phenyl]cyclopropyl]acetic acid
CID 117424606
[1-(3-nitrophenyl)cyclopropyl]methanol
CID 131010152
[1-(3-methylphenyl)cyclopropyl]methanol
CID 55253193
2-[1-[3-(4-methylcyclohexyl)phenyl]cyclopropyl]acetic acid
CID 117434022
2-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetic acid
CID 66748836
2-[1-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)cyclopropyl]acetic acid
CID 117404420
2-[1-(4-bromo-3-methylphenyl)cyclopropyl]acetic acid
CID 84808527

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid (CID 117107682) is 2-[1-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid is O=C(O)CC1(c2cccc(C3(CO)CC3)c2)CC1.
What is the InChIKey of 2-[1-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid?
The InChIKey is OWNBHRWJJRDTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c16-10-15(6-7-15)12-3-1-2-11(8-12)14(4-5-14)9-13(17)18/h1-3,8,16H,4-7,9-10H2,(H,17,18).
What are the key properties of 2-[1-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid?
2-[1-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid has a molecular weight of 246.31 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid is sourced from PubChem (CID 117107682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).