4-cyclohex-2-en-1-yloxybenzoic acid;(4-cyclohex-2-en-1-yloxyphenyl)methanol

C26H30O5 — CID 67807487

IUPAC4-cyclohex-2-en-1-yloxybenzoic acid;(4-cyclohex-2-en-1-yloxyphenyl)methanol
SMILESO=C(O)c1ccc(OC2C=CCCC2)cc1.OCc1ccc(OC2C=CCCC2)cc1
InChIInChI=1S/C13H14O3.C13H16O2/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11;14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h2,4,6-9,11H,1,3,5H2,(H,14,15);2,4,6-9,12,14H,1,3,5,10H2
InChIKeyULSLPDNHWPWZEE-UHFFFAOYSA-N
MW422.52 g/mol
LogP5.54
Rot. Bonds6

About 4-cyclohex-2-en-1-yloxybenzoic acid;(4-cyclohex-2-en-1-yloxyphenyl)methanol

4-cyclohex-2-en-1-yloxybenzoic acid;(4-cyclohex-2-en-1-yloxyphenyl)methanol (PubChem CID 67807487) has the molecular formula C26H30O5 and a molecular weight of 422.52 g/mol. Its IUPAC name is 4-cyclohex-2-en-1-yloxybenzoic acid;(4-cyclohex-2-en-1-yloxyphenyl)methanol.

Molecular Properties

Compound Name4-cyclohex-2-en-1-yloxybenzoic acid;(4-cyclohex-2-en-1-yloxyphenyl)methanol
PubChem CID67807487
Molecular FormulaC26H30O5
Molecular Weight422.52 g/mol
Exact Mass422.21
IUPAC Name4-cyclohex-2-en-1-yloxybenzoic acid;(4-cyclohex-2-en-1-yloxyphenyl)methanol
SMILESO=C(O)c1ccc(OC2C=CCCC2)cc1.OCc1ccc(OC2C=CCCC2)cc1
InChIInChI=1S/C13H14O3.C13H16O2/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11;14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h2,4,6-9,11H,1,3,5H2,(H,14,15);2,4,6-9,12,14H,1,3,5,10H2
InChIKeyULSLPDNHWPWZEE-UHFFFAOYSA-N
XLogP5.54
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.52
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(1S)-cyclohex-2-en-1-yl]oxybenzoate
CID 7343247
4-[[(2Z)-cyclooct-2-en-1-yl]oxymethyl]benzoic acid
CID 131983406
1-cyclohex-2-en-1-yloxy-4-[(2Z,4Z)-4-(4-cyclohex-2-en-1-yloxyphenyl)hexa-2,4-dien-3-yl]benzene
CID 5357270
cyclopropane;4-(hydroxymethyl)benzoic acid
CID 67743038
5-cyclohex-2-en-1-yloxypyridine-3-carboxylic acid
CID 114619557
2-chloro-5-cyclohex-2-en-1-yloxybenzoic acid
CID 106500787
4-cyclohex-2-en-1-yloxybenzaldehyde
CID 19069252
4-cyclohex-2-en-1-yloxyaniline
CID 112693108
1-chloro-4-cyclohex-2-en-1-yloxybenzene
CID 15190705
4-[2-[(4-cyclohex-2-en-1-yloxybenzoyl)amino]ethoxy]-N-hydroxybenzamide
CID 87108521
[4-[3-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol
CID 118229827
4-(4-cyclohex-2-en-1-yloxyphenyl)butan-2-amine
CID 114619610

Frequently Asked Questions

What is the IUPAC name of 4-cyclohex-2-en-1-yloxybenzoic acid;(4-cyclohex-2-en-1-yloxyphenyl)methanol?
The IUPAC name of 4-cyclohex-2-en-1-yloxybenzoic acid;(4-cyclohex-2-en-1-yloxyphenyl)methanol (CID 67807487) is 4-cyclohex-2-en-1-yloxybenzoic acid;(4-cyclohex-2-en-1-yloxyphenyl)methanol.
What is the SMILES notation for 4-cyclohex-2-en-1-yloxybenzoic acid;(4-cyclohex-2-en-1-yloxyphenyl)methanol?
The canonical SMILES for 4-cyclohex-2-en-1-yloxybenzoic acid;(4-cyclohex-2-en-1-yloxyphenyl)methanol is O=C(O)c1ccc(OC2C=CCCC2)cc1.OCc1ccc(OC2C=CCCC2)cc1.
What is the InChIKey of 4-cyclohex-2-en-1-yloxybenzoic acid;(4-cyclohex-2-en-1-yloxyphenyl)methanol?
The InChIKey is ULSLPDNHWPWZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3.C13H16O2/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11;14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h2,4,6-9,11H,1,3,5H2,(H,14,15);2,4,6-9,12,14H,1,3,5,10H2.
What are the key properties of 4-cyclohex-2-en-1-yloxybenzoic acid;(4-cyclohex-2-en-1-yloxyphenyl)methanol?
4-cyclohex-2-en-1-yloxybenzoic acid;(4-cyclohex-2-en-1-yloxyphenyl)methanol has a molecular weight of 422.52 g/mol, XLogP of 5.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohex-2-en-1-yloxybenzoic acid;(4-cyclohex-2-en-1-yloxyphenyl)methanol is sourced from PubChem (CID 67807487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).