2-[1-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid

C15H18O3 — CID 117107684

IUPAC2-[1-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2ccc(C3(CO)CC3)cc2)CC1
InChIInChI=1S/C15H18O3/c16-10-15(7-8-15)12-3-1-11(2-4-12)14(5-6-14)9-13(17)18/h1-4,16H,5-10H2,(H,17,18)
InChIKeyGGPUFEXIIQZJLD-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.22
Rot. Bonds5

About 2-[1-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid

2-[1-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid (PubChem CID 117107684) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[1-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
PubChem CID117107684
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name2-[1-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2ccc(C3(CO)CC3)cc2)CC1
InChIInChI=1S/C15H18O3/c16-10-15(7-8-15)12-3-1-11(2-4-12)14(5-6-14)9-13(17)18/h1-4,16H,5-10H2,(H,17,18)
InChIKeyGGPUFEXIIQZJLD-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

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Related Compounds

2-[1-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
CID 117107682
2-[1-(4-aminophenyl)cyclopentyl]acetic acid
CID 21077926
2-[1-(4-aminophenyl)cyclobutyl]acetic acid
CID 21077925
2-[1-[4-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 84787396
2-[1-[4-(3-fluoropropyl)phenyl]cyclopropyl]acetic acid
CID 117344925
2-[1-[4-(difluoromethylsulfanyl)phenyl]cyclopropyl]acetic acid
CID 117399175
4-[1-(hydroxymethyl)cyclopropyl]phenol
CID 10877457
2-[1-[4-(2-methoxypropan-2-yl)phenyl]cyclopropyl]acetic acid
CID 117373943
2-[1-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)cyclopropyl]acetic acid
CID 117404420
2-[1-(4-methylsulfonyloxyphenyl)cyclopropyl]acetic acid
CID 117428980
2-[1-[4-(1-methylazetidin-3-yl)phenyl]cyclopropyl]acetic acid
CID 117365326
2-[1-[4-(thian-4-yl)phenyl]cyclopropyl]acetic acid
CID 117443081

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid (CID 117107684) is 2-[1-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid is O=C(O)CC1(c2ccc(C3(CO)CC3)cc2)CC1.
What is the InChIKey of 2-[1-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid?
The InChIKey is GGPUFEXIIQZJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c16-10-15(7-8-15)12-3-1-11(2-4-12)14(5-6-14)9-13(17)18/h1-4,16H,5-10H2,(H,17,18).
What are the key properties of 2-[1-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid?
2-[1-[4-[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-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid is sourced from PubChem (CID 117107684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).