(E)-4-(4-phenylcyclohexen-1-yl)but-3-enoic acid

C16H18O2 — CID 134850934

IUPAC(E)-4-(4-phenylcyclohexen-1-yl)but-3-enoic acid
SMILESO=C(O)C/C=C/C1=CCC(c2ccccc2)CC1
InChIInChI=1S/C16H18O2/c17-16(18)8-4-5-13-9-11-15(12-10-13)14-6-2-1-3-7-14/h1-7,9,15H,8,10-12H2,(H,17,18)/b5-4+
InChIKeyBFCUUQJNKOZOBH-SNAWJCMRSA-N
MW242.32 g/mol
LogP3.91
Rot. Bonds4

About (E)-4-(4-phenylcyclohexen-1-yl)but-3-enoic acid

(E)-4-(4-phenylcyclohexen-1-yl)but-3-enoic acid (PubChem CID 134850934) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is (E)-4-(4-phenylcyclohexen-1-yl)but-3-enoic acid.

Molecular Properties

Compound Name(E)-4-(4-phenylcyclohexen-1-yl)but-3-enoic acid
PubChem CID134850934
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name(E)-4-(4-phenylcyclohexen-1-yl)but-3-enoic acid
SMILESO=C(O)C/C=C/C1=CCC(c2ccccc2)CC1
InChIInChI=1S/C16H18O2/c17-16(18)8-4-5-13-9-11-15(12-10-13)14-6-2-1-3-7-14/h1-7,9,15H,8,10-12H2,(H,17,18)/b5-4+
InChIKeyBFCUUQJNKOZOBH-SNAWJCMRSA-N
XLogP3.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 10563992
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CID 134966809
N-[(4S)-4-phenylcyclohexen-1-yl]formamide
CID 86313094
N'-[(4R)-4-phenylcyclohexen-1-yl]acetohydrazide
CID 2163318
carbonic acid;cyclohex-3-en-1-ylbenzene
CID 70561702
(4-phenylcyclohexen-1-yl)sulfanylbenzene
CID 10945388
2-methyl-N'-[(4R)-4-phenylcyclohexen-1-yl]furan-3-carbohydrazide
CID 2386188
4-[4-(4-chlorophenyl)cyclohexyl]but-3-enoic acid
CID 67844193
2-[(4-phenylcyclohexyl)methyl]propanedioic acid
CID 18768944
ethane;methanol;4-phenylcyclohexan-1-one
CID 91076562
(Z)-4-(4-methylphenyl)but-3-enoic acid
CID 94034249
benzene;cyclopropylbenzene
CID 144638417

Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-phenylcyclohexen-1-yl)but-3-enoic acid?
The IUPAC name of (E)-4-(4-phenylcyclohexen-1-yl)but-3-enoic acid (CID 134850934) is (E)-4-(4-phenylcyclohexen-1-yl)but-3-enoic acid.
What is the SMILES notation for (E)-4-(4-phenylcyclohexen-1-yl)but-3-enoic acid?
The canonical SMILES for (E)-4-(4-phenylcyclohexen-1-yl)but-3-enoic acid is O=C(O)C/C=C/C1=CCC(c2ccccc2)CC1.
What is the InChIKey of (E)-4-(4-phenylcyclohexen-1-yl)but-3-enoic acid?
The InChIKey is BFCUUQJNKOZOBH-SNAWJCMRSA-N. The full InChI is InChI=1S/C16H18O2/c17-16(18)8-4-5-13-9-11-15(12-10-13)14-6-2-1-3-7-14/h1-7,9,15H,8,10-12H2,(H,17,18)/b5-4+.
What are the key properties of (E)-4-(4-phenylcyclohexen-1-yl)but-3-enoic acid?
(E)-4-(4-phenylcyclohexen-1-yl)but-3-enoic acid has a molecular weight of 242.32 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-phenylcyclohexen-1-yl)but-3-enoic acid is sourced from PubChem (CID 134850934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).