cyclopropane;4-(hydroxymethyl)benzoic acid

C11H14O3 — CID 67743038

IUPACcyclopropane;4-(hydroxymethyl)benzoic acid
SMILESC1CC1.O=C(O)c1ccc(CO)cc1
InChIInChI=1S/C8H8O3.C3H6/c9-5-6-1-3-7(4-2-6)8(10)11;1-2-3-1/h1-4,9H,5H2,(H,10,11);1-3H2
InChIKeyZVTUVXKTUXIJPV-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.05
Rot. Bonds2

About cyclopropane;4-(hydroxymethyl)benzoic acid

cyclopropane;4-(hydroxymethyl)benzoic acid (PubChem CID 67743038) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is cyclopropane;4-(hydroxymethyl)benzoic acid.

Molecular Properties

Compound Namecyclopropane;4-(hydroxymethyl)benzoic acid
PubChem CID67743038
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Namecyclopropane;4-(hydroxymethyl)benzoic acid
SMILESC1CC1.O=C(O)c1ccc(CO)cc1
InChIInChI=1S/C8H8O3.C3H6/c9-5-6-1-3-7(4-2-6)8(10)11;1-2-3-1/h1-4,9H,5H2,(H,10,11);1-3H2
InChIKeyZVTUVXKTUXIJPV-UHFFFAOYSA-N
XLogP2.05
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)benzoic acid;[4-(aminomethyl)phenyl]methanol
CID 159984527
benzoic acid;phenylmethanol
CID 175191007
4-[4-(hydroxymethyl)benzoyl]oxybenzoic acid
CID 89257139
4-(2-hydroxyethyl)benzoic acid
CID 506062
terephthalic acid
CID 160582437
4-cyclohex-2-en-1-yloxybenzoic acid;(4-cyclohex-2-en-1-yloxyphenyl)methanol
CID 67807487
4-[2-[3-(hydroxymethyl)phenyl]ethyl]benzoic acid
CID 174540929
acetic acid;[4-(hydroxymethyl)phenyl]methanol
CID 71354218
4-[(1-fluorocyclooctyl)methyl]benzoic acid
CID 144590205
bismuthane;terephthalic acid
CID 173299583
chromium;terephthalic acid
CID 87187082
terephthalic acid;dihydrofluoride
CID 70485309

Frequently Asked Questions

What is the IUPAC name of cyclopropane;4-(hydroxymethyl)benzoic acid?
The IUPAC name of cyclopropane;4-(hydroxymethyl)benzoic acid (CID 67743038) is cyclopropane;4-(hydroxymethyl)benzoic acid.
What is the SMILES notation for cyclopropane;4-(hydroxymethyl)benzoic acid?
The canonical SMILES for cyclopropane;4-(hydroxymethyl)benzoic acid is C1CC1.O=C(O)c1ccc(CO)cc1.
What is the InChIKey of cyclopropane;4-(hydroxymethyl)benzoic acid?
The InChIKey is ZVTUVXKTUXIJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3.C3H6/c9-5-6-1-3-7(4-2-6)8(10)11;1-2-3-1/h1-4,9H,5H2,(H,10,11);1-3H2.
What are the key properties of cyclopropane;4-(hydroxymethyl)benzoic acid?
cyclopropane;4-(hydroxymethyl)benzoic acid has a molecular weight of 194.23 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;4-(hydroxymethyl)benzoic acid is sourced from PubChem (CID 67743038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).