2-(6-hydroxy-1-propylcyclohexa-2,4-dien-1-yl)phenol

C15H18O2 — CID 88608813

IUPAC2-(6-hydroxy-1-propylcyclohexa-2,4-dien-1-yl)phenol
SMILESCCCC1(c2ccccc2O)C=CC=CC1O
InChIInChI=1S/C15H18O2/c1-2-10-15(11-6-5-9-14(15)17)12-7-3-4-8-13(12)16/h3-9,11,14,16-17H,2,10H2,1H3
InChIKeyGDTHBNXKWXZYHA-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.92
Rot. Bonds3

About 2-(6-hydroxy-1-propylcyclohexa-2,4-dien-1-yl)phenol

2-(6-hydroxy-1-propylcyclohexa-2,4-dien-1-yl)phenol (PubChem CID 88608813) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(6-hydroxy-1-propylcyclohexa-2,4-dien-1-yl)phenol.

Molecular Properties

Compound Name2-(6-hydroxy-1-propylcyclohexa-2,4-dien-1-yl)phenol
PubChem CID88608813
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name2-(6-hydroxy-1-propylcyclohexa-2,4-dien-1-yl)phenol
SMILESCCCC1(c2ccccc2O)C=CC=CC1O
InChIInChI=1S/C15H18O2/c1-2-10-15(11-6-5-9-14(15)17)12-7-3-4-8-13(12)16/h3-9,11,14,16-17H,2,10H2,1H3
InChIKeyGDTHBNXKWXZYHA-UHFFFAOYSA-N
XLogP2.92
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxy-1-propylcyclohexa-2,4-dien-1-yl)phenol?
The IUPAC name of 2-(6-hydroxy-1-propylcyclohexa-2,4-dien-1-yl)phenol (CID 88608813) is 2-(6-hydroxy-1-propylcyclohexa-2,4-dien-1-yl)phenol.
What is the SMILES notation for 2-(6-hydroxy-1-propylcyclohexa-2,4-dien-1-yl)phenol?
The canonical SMILES for 2-(6-hydroxy-1-propylcyclohexa-2,4-dien-1-yl)phenol is CCCC1(c2ccccc2O)C=CC=CC1O.
What is the InChIKey of 2-(6-hydroxy-1-propylcyclohexa-2,4-dien-1-yl)phenol?
The InChIKey is GDTHBNXKWXZYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-2-10-15(11-6-5-9-14(15)17)12-7-3-4-8-13(12)16/h3-9,11,14,16-17H,2,10H2,1H3.
What are the key properties of 2-(6-hydroxy-1-propylcyclohexa-2,4-dien-1-yl)phenol?
2-(6-hydroxy-1-propylcyclohexa-2,4-dien-1-yl)phenol has a molecular weight of 230.31 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxy-1-propylcyclohexa-2,4-dien-1-yl)phenol is sourced from PubChem (CID 88608813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).