2-[2-(2-hydroxyphenyl)propan-2-yl]phenol;hydrate

C15H18O3 — CID 162321834

IUPAC2-[2-(2-hydroxyphenyl)propan-2-yl]phenol;hydrate
SMILESCC(C)(c1ccccc1O)c1ccccc1O.O
InChIInChI=1S/C15H16O2.H2O/c1-15(2,11-7-3-5-9-13(11)16)12-8-4-6-10-14(12)17;/h3-10,16-17H,1-2H3;1H2
InChIKeyZFESTQWNFOXUHP-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.60
Rot. Bonds2

About 2-[2-(2-hydroxyphenyl)propan-2-yl]phenol;hydrate

2-[2-(2-hydroxyphenyl)propan-2-yl]phenol;hydrate (PubChem CID 162321834) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[2-(2-hydroxyphenyl)propan-2-yl]phenol;hydrate.

Molecular Properties

Compound Name2-[2-(2-hydroxyphenyl)propan-2-yl]phenol;hydrate
PubChem CID162321834
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name2-[2-(2-hydroxyphenyl)propan-2-yl]phenol;hydrate
SMILESCC(C)(c1ccccc1O)c1ccccc1O.O
InChIInChI=1S/C15H16O2.H2O/c1-15(2,11-7-3-5-9-13(11)16)12-8-4-6-10-14(12)17;/h3-10,16-17H,1-2H3;1H2
InChIKeyZFESTQWNFOXUHP-UHFFFAOYSA-N
XLogP2.60
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174697950
benzene;2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174709888
CID 11255567
CID 11255567
2-hydroxybenzoic acid;2-[2-(2-hydroxyphenyl)propan-2-yl]phenol
CID 174517600
CID 172777673
CID 172777673
potassium;2-tert-butylphenol;hydride
CID 174648142
tetrakis(2-tert-butylphenol);phosphorous acid
CID 175312297
2-tert-butylphenol;N-methylmethanamine
CID 161387965
2-[2-(dimethylamino)propan-2-yl]phenol
CID 66587179
2-[2-(2,3,4-triethylphenyl)propan-2-yl]phenol
CID 67179776
2-(2,4-dimethylpentan-2-yl)phenol
CID 130033445
2-tert-butylphenol;2-methylprop-1-ene
CID 160954539

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyphenyl)propan-2-yl]phenol;hydrate?
The IUPAC name of 2-[2-(2-hydroxyphenyl)propan-2-yl]phenol;hydrate (CID 162321834) is 2-[2-(2-hydroxyphenyl)propan-2-yl]phenol;hydrate.
What is the SMILES notation for 2-[2-(2-hydroxyphenyl)propan-2-yl]phenol;hydrate?
The canonical SMILES for 2-[2-(2-hydroxyphenyl)propan-2-yl]phenol;hydrate is CC(C)(c1ccccc1O)c1ccccc1O.O.
What is the InChIKey of 2-[2-(2-hydroxyphenyl)propan-2-yl]phenol;hydrate?
The InChIKey is ZFESTQWNFOXUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2.H2O/c1-15(2,11-7-3-5-9-13(11)16)12-8-4-6-10-14(12)17;/h3-10,16-17H,1-2H3;1H2.
What are the key properties of 2-[2-(2-hydroxyphenyl)propan-2-yl]phenol;hydrate?
2-[2-(2-hydroxyphenyl)propan-2-yl]phenol;hydrate has a molecular weight of 246.31 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyphenyl)propan-2-yl]phenol;hydrate is sourced from PubChem (CID 162321834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).