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

C21H24O2 — CID 174709888

IUPACbenzene;2-(2-phenylpropan-2-yl)phenol;hydrate
SMILESCC(C)(c1ccccc1)c1ccccc1O.O.c1ccccc1
InChIInChI=1S/C15H16O.C6H6.H2O/c1-15(2,12-8-4-3-5-9-12)13-10-6-7-11-14(13)16;1-2-4-6-5-3-1;/h3-11,16H,1-2H3;1-6H;1H2
InChIKeyAZKYWMKZFSIFOH-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.58
Rot. Bonds2

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

benzene;2-(2-phenylpropan-2-yl)phenol;hydrate (PubChem CID 174709888) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is benzene;2-(2-phenylpropan-2-yl)phenol;hydrate.

Molecular Properties

Compound Namebenzene;2-(2-phenylpropan-2-yl)phenol;hydrate
PubChem CID174709888
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Namebenzene;2-(2-phenylpropan-2-yl)phenol;hydrate
SMILESCC(C)(c1ccccc1)c1ccccc1O.O.c1ccccc1
InChIInChI=1S/C15H16O.C6H6.H2O/c1-15(2,12-8-4-3-5-9-12)13-10-6-7-11-14(13)16;1-2-4-6-5-3-1;/h3-11,16H,1-2H3;1-6H;1H2
InChIKeyAZKYWMKZFSIFOH-UHFFFAOYSA-N
XLogP4.58
TPSA51.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174697950
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 benzene;2-(2-phenylpropan-2-yl)phenol;hydrate?
The IUPAC name of benzene;2-(2-phenylpropan-2-yl)phenol;hydrate (CID 174709888) is benzene;2-(2-phenylpropan-2-yl)phenol;hydrate.
What is the SMILES notation for benzene;2-(2-phenylpropan-2-yl)phenol;hydrate?
The canonical SMILES for benzene;2-(2-phenylpropan-2-yl)phenol;hydrate is CC(C)(c1ccccc1)c1ccccc1O.O.c1ccccc1.
What is the InChIKey of benzene;2-(2-phenylpropan-2-yl)phenol;hydrate?
The InChIKey is AZKYWMKZFSIFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O.C6H6.H2O/c1-15(2,12-8-4-3-5-9-12)13-10-6-7-11-14(13)16;1-2-4-6-5-3-1;/h3-11,16H,1-2H3;1-6H;1H2.
What are the key properties of benzene;2-(2-phenylpropan-2-yl)phenol;hydrate?
benzene;2-(2-phenylpropan-2-yl)phenol;hydrate has a molecular weight of 308.42 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2-(2-phenylpropan-2-yl)phenol;hydrate is sourced from PubChem (CID 174709888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).