2-(2-phenylpropan-2-yl)phenol;hydrate

C15H18O2 — CID 174697950

IUPAC2-(2-phenylpropan-2-yl)phenol;hydrate
SMILESCC(C)(c1ccccc1)c1ccccc1O.O
InChIInChI=1S/C15H16O.H2O/c1-15(2,12-8-4-3-5-9-12)13-10-6-7-11-14(13)16;/h3-11,16H,1-2H3;1H2
InChIKeyNZQLPWOGACGLJL-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.89
Rot. Bonds2

About 2-(2-phenylpropan-2-yl)phenol;hydrate

2-(2-phenylpropan-2-yl)phenol;hydrate (PubChem CID 174697950) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(2-phenylpropan-2-yl)phenol;hydrate.

Molecular Properties

Compound Name2-(2-phenylpropan-2-yl)phenol;hydrate
PubChem CID174697950
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name2-(2-phenylpropan-2-yl)phenol;hydrate
SMILESCC(C)(c1ccccc1)c1ccccc1O.O
InChIInChI=1S/C15H16O.H2O/c1-15(2,12-8-4-3-5-9-12)13-10-6-7-11-14(13)16;/h3-11,16H,1-2H3;1H2
InChIKeyNZQLPWOGACGLJL-UHFFFAOYSA-N
XLogP2.89
TPSA51.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

benzene;2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174709888
2-[2-(2-hydroxyphenyl)propan-2-yl]phenol;hydrate
CID 162321834
ethoxyethane;2-(2-phenylpropan-2-yl)phenol
CID 126484848
2-phenylpropan-2-ylbenzene
CID 13065
ethenoxyethene;2-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 23109868
2-phenyl-6-(2-phenylpropan-2-yl)phenol
CID 20572334
CID 175980360
CID 175980360
CID 11255567
CID 11255567
1-(2-phenylpropan-2-yl)-2-[2-(2-phenylpropan-2-yl)phenyl]sulfanylbenzene
CID 156695476
2-hydroxybenzoic acid;2-[2-(2-hydroxyphenyl)propan-2-yl]phenol
CID 174517600
2-(2-phenylpropan-2-yl)benzenesulfonamide
CID 23126425
CID 172777673
CID 172777673

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylpropan-2-yl)phenol;hydrate?
The IUPAC name of 2-(2-phenylpropan-2-yl)phenol;hydrate (CID 174697950) is 2-(2-phenylpropan-2-yl)phenol;hydrate.
What is the SMILES notation for 2-(2-phenylpropan-2-yl)phenol;hydrate?
The canonical SMILES for 2-(2-phenylpropan-2-yl)phenol;hydrate is CC(C)(c1ccccc1)c1ccccc1O.O.
What is the InChIKey of 2-(2-phenylpropan-2-yl)phenol;hydrate?
The InChIKey is NZQLPWOGACGLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O.H2O/c1-15(2,12-8-4-3-5-9-12)13-10-6-7-11-14(13)16;/h3-11,16H,1-2H3;1H2.
What are the key properties of 2-(2-phenylpropan-2-yl)phenol;hydrate?
2-(2-phenylpropan-2-yl)phenol;hydrate has a molecular weight of 230.31 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylpropan-2-yl)phenol;hydrate is sourced from PubChem (CID 174697950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).