3-(3-phenylmethoxycyclohexyl)propanoic acid

C16H22O3 — CID 115049002

IUPAC3-(3-phenylmethoxycyclohexyl)propanoic acid
SMILESO=C(O)CCC1CCCC(OCc2ccccc2)C1
InChIInChI=1S/C16H22O3/c17-16(18)10-9-13-7-4-8-15(11-13)19-12-14-5-2-1-3-6-14/h1-3,5-6,13,15H,4,7-12H2,(H,17,18)
InChIKeyKXEHURAIMKRZJE-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.63
Rot. Bonds6

About 3-(3-phenylmethoxycyclohexyl)propanoic acid

3-(3-phenylmethoxycyclohexyl)propanoic acid (PubChem CID 115049002) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(3-phenylmethoxycyclohexyl)propanoic acid.

Molecular Properties

Compound Name3-(3-phenylmethoxycyclohexyl)propanoic acid
PubChem CID115049002
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name3-(3-phenylmethoxycyclohexyl)propanoic acid
SMILESO=C(O)CCC1CCCC(OCc2ccccc2)C1
InChIInChI=1S/C16H22O3/c17-16(18)10-9-13-7-4-8-15(11-13)19-12-14-5-2-1-3-6-14/h1-3,5-6,13,15H,4,7-12H2,(H,17,18)
InChIKeyKXEHURAIMKRZJE-UHFFFAOYSA-N
XLogP3.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,3R)-3-phenylmethoxycyclohexan-1-ol
CID 14172790
benzyl (3R)-3-phenylmethoxycyclohexane-1-carboxylate
CID 59011020
4-(4-phenylmethoxycyclohexyl)butan-2-one
CID 67412875
azane;cyclopentyloxymethylbenzene
CID 69411306
1-chloro-2-[3-(cyclodecapentaenylmethoxy)cyclodecyl]ethanol
CID 155130998
(3-phenylmethoxycyclopentanecarbonyl) 3-phenylmethoxycyclopentane-1-carboxylate
CID 141325822
3-[(1R,3S)-3-phenylmethoxycyclohexyl]oxypropane-1,2-diol
CID 59659244
3-phenylmethoxycyclopentan-1-amine
CID 79421215
4-phenylmethoxyazepane-1-carboxylic acid
CID 77320736
3-phenylmethoxycyclobutane-1-carboxamide
CID 121012391
2-(2-phenylmethoxycyclopentyl)acetic acid
CID 115040131
(3-chlorocyclobutyl)oxymethylbenzene
CID 66344030

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylmethoxycyclohexyl)propanoic acid?
The IUPAC name of 3-(3-phenylmethoxycyclohexyl)propanoic acid (CID 115049002) is 3-(3-phenylmethoxycyclohexyl)propanoic acid.
What is the SMILES notation for 3-(3-phenylmethoxycyclohexyl)propanoic acid?
The canonical SMILES for 3-(3-phenylmethoxycyclohexyl)propanoic acid is O=C(O)CCC1CCCC(OCc2ccccc2)C1.
What is the InChIKey of 3-(3-phenylmethoxycyclohexyl)propanoic acid?
The InChIKey is KXEHURAIMKRZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c17-16(18)10-9-13-7-4-8-15(11-13)19-12-14-5-2-1-3-6-14/h1-3,5-6,13,15H,4,7-12H2,(H,17,18).
What are the key properties of 3-(3-phenylmethoxycyclohexyl)propanoic acid?
3-(3-phenylmethoxycyclohexyl)propanoic acid has a molecular weight of 262.35 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylmethoxycyclohexyl)propanoic acid is sourced from PubChem (CID 115049002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).