2-(2-methylhex-2-en-3-yl)phenol;bis(1,2-xylene)

C29H38O — CID 143430727

IUPAC2-(2-methylhex-2-en-3-yl)phenol;bis(1,2-xylene)
SMILESCCCC(=C(C)C)c1ccccc1O.Cc1ccccc1C.Cc1ccccc1C
InChIInChI=1S/C13H18O.2C8H10/c1-4-7-11(10(2)3)12-8-5-6-9-13(12)14;2*1-7-5-3-4-6-8(7)2/h5-6,8-9,14H,4,7H2,1-3H3;2*3-6H,1-2H3
InChIKeyKKUYHNGYAJTARJ-UHFFFAOYSA-N
MW402.62 g/mol
LogP8.59
Rot. Bonds3

About 2-(2-methylhex-2-en-3-yl)phenol;bis(1,2-xylene)

2-(2-methylhex-2-en-3-yl)phenol;bis(1,2-xylene) (PubChem CID 143430727) has the molecular formula C29H38O and a molecular weight of 402.62 g/mol. Its IUPAC name is 2-(2-methylhex-2-en-3-yl)phenol;bis(1,2-xylene).

Molecular Properties

Compound Name2-(2-methylhex-2-en-3-yl)phenol;bis(1,2-xylene)
PubChem CID143430727
Molecular FormulaC29H38O
Molecular Weight402.62 g/mol
Exact Mass402.29
IUPAC Name2-(2-methylhex-2-en-3-yl)phenol;bis(1,2-xylene)
SMILESCCCC(=C(C)C)c1ccccc1O.Cc1ccccc1C.Cc1ccccc1C
InChIInChI=1S/C13H18O.2C8H10/c1-4-7-11(10(2)3)12-8-5-6-9-13(12)14;2*1-7-5-3-4-6-8(7)2/h5-6,8-9,14H,4,7H2,1-3H3;2*3-6H,1-2H3
InChIKeyKKUYHNGYAJTARJ-UHFFFAOYSA-N
XLogP8.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.62
LogP ≤ 58.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-methylhex-2-en-3-yl)phenol;bis(1,2-xylene) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylhex-2-en-3-yl)phenol;bis(1,2-xylene)?
The IUPAC name of 2-(2-methylhex-2-en-3-yl)phenol;bis(1,2-xylene) (CID 143430727) is 2-(2-methylhex-2-en-3-yl)phenol;bis(1,2-xylene).
What is the SMILES notation for 2-(2-methylhex-2-en-3-yl)phenol;bis(1,2-xylene)?
The canonical SMILES for 2-(2-methylhex-2-en-3-yl)phenol;bis(1,2-xylene) is CCCC(=C(C)C)c1ccccc1O.Cc1ccccc1C.Cc1ccccc1C.
What is the InChIKey of 2-(2-methylhex-2-en-3-yl)phenol;bis(1,2-xylene)?
The InChIKey is KKUYHNGYAJTARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O.2C8H10/c1-4-7-11(10(2)3)12-8-5-6-9-13(12)14;2*1-7-5-3-4-6-8(7)2/h5-6,8-9,14H,4,7H2,1-3H3;2*3-6H,1-2H3.
What are the key properties of 2-(2-methylhex-2-en-3-yl)phenol;bis(1,2-xylene)?
2-(2-methylhex-2-en-3-yl)phenol;bis(1,2-xylene) has a molecular weight of 402.62 g/mol, XLogP of 8.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylhex-2-en-3-yl)phenol;bis(1,2-xylene) is sourced from PubChem (CID 143430727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).