2-(1-methylcyclohexyl)-4-[4-[(E)-prop-1-enyl]phenyl]phenol

C22H26O — CID 142209751

IUPAC2-(1-methylcyclohexyl)-4-[4-[(E)-prop-1-enyl]phenyl]phenol
SMILESC/C=C/c1ccc(-c2ccc(O)c(C3(C)CCCCC3)c2)cc1
InChIInChI=1S/C22H26O/c1-3-7-17-8-10-18(11-9-17)19-12-13-21(23)20(16-19)22(2)14-5-4-6-15-22/h3,7-13,16,23H,4-6,14-15H2,1-2H3/b7-3+
InChIKeyWEJUFDZPDVWBTQ-XVNBXDOJSA-N
MW306.45 g/mol
LogP6.31
Rot. Bonds3

About 2-(1-methylcyclohexyl)-4-[4-[(E)-prop-1-enyl]phenyl]phenol

2-(1-methylcyclohexyl)-4-[4-[(E)-prop-1-enyl]phenyl]phenol (PubChem CID 142209751) has the molecular formula C22H26O and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-(1-methylcyclohexyl)-4-[4-[(E)-prop-1-enyl]phenyl]phenol.

Molecular Properties

Compound Name2-(1-methylcyclohexyl)-4-[4-[(E)-prop-1-enyl]phenyl]phenol
PubChem CID142209751
Molecular FormulaC22H26O
Molecular Weight306.45 g/mol
Exact Mass306.20
IUPAC Name2-(1-methylcyclohexyl)-4-[4-[(E)-prop-1-enyl]phenyl]phenol
SMILESC/C=C/c1ccc(-c2ccc(O)c(C3(C)CCCCC3)c2)cc1
InChIInChI=1S/C22H26O/c1-3-7-17-8-10-18(11-9-17)19-12-13-21(23)20(16-19)22(2)14-5-4-6-15-22/h3,7-13,16,23H,4-6,14-15H2,1-2H3/b7-3+
InChIKeyWEJUFDZPDVWBTQ-XVNBXDOJSA-N
XLogP6.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.45
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclohexyl)-4-[4-[(E)-prop-1-enyl]phenyl]phenol?
The IUPAC name of 2-(1-methylcyclohexyl)-4-[4-[(E)-prop-1-enyl]phenyl]phenol (CID 142209751) is 2-(1-methylcyclohexyl)-4-[4-[(E)-prop-1-enyl]phenyl]phenol.
What is the SMILES notation for 2-(1-methylcyclohexyl)-4-[4-[(E)-prop-1-enyl]phenyl]phenol?
The canonical SMILES for 2-(1-methylcyclohexyl)-4-[4-[(E)-prop-1-enyl]phenyl]phenol is C/C=C/c1ccc(-c2ccc(O)c(C3(C)CCCCC3)c2)cc1.
What is the InChIKey of 2-(1-methylcyclohexyl)-4-[4-[(E)-prop-1-enyl]phenyl]phenol?
The InChIKey is WEJUFDZPDVWBTQ-XVNBXDOJSA-N. The full InChI is InChI=1S/C22H26O/c1-3-7-17-8-10-18(11-9-17)19-12-13-21(23)20(16-19)22(2)14-5-4-6-15-22/h3,7-13,16,23H,4-6,14-15H2,1-2H3/b7-3+.
What are the key properties of 2-(1-methylcyclohexyl)-4-[4-[(E)-prop-1-enyl]phenyl]phenol?
2-(1-methylcyclohexyl)-4-[4-[(E)-prop-1-enyl]phenyl]phenol has a molecular weight of 306.45 g/mol, XLogP of 6.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclohexyl)-4-[4-[(E)-prop-1-enyl]phenyl]phenol is sourced from PubChem (CID 142209751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).