(4,4-dimethyl-1-phenylcyclopent-2-en-1-yl)benzene;hydrate

C19H22O — CID 145427653

IUPAC(4,4-dimethyl-1-phenylcyclopent-2-en-1-yl)benzene;hydrate
SMILESCC1(C)C=CC(c2ccccc2)(c2ccccc2)C1.O
InChIInChI=1S/C19H20.H2O/c1-18(2)13-14-19(15-18,16-9-5-3-6-10-16)17-11-7-4-8-12-17;/h3-14H,15H2,1-2H3;1H2
InChIKeyBYRRNIXYLZWFEN-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.13
Rot. Bonds2

About (4,4-dimethyl-1-phenylcyclopent-2-en-1-yl)benzene;hydrate

(4,4-dimethyl-1-phenylcyclopent-2-en-1-yl)benzene;hydrate (PubChem CID 145427653) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is (4,4-dimethyl-1-phenylcyclopent-2-en-1-yl)benzene;hydrate.

Molecular Properties

Compound Name(4,4-dimethyl-1-phenylcyclopent-2-en-1-yl)benzene;hydrate
PubChem CID145427653
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name(4,4-dimethyl-1-phenylcyclopent-2-en-1-yl)benzene;hydrate
SMILESCC1(C)C=CC(c2ccccc2)(c2ccccc2)C1.O
InChIInChI=1S/C19H20.H2O/c1-18(2)13-14-19(15-18,16-9-5-3-6-10-16)17-11-7-4-8-12-17;/h3-14H,15H2,1-2H3;1H2
InChIKeyBYRRNIXYLZWFEN-UHFFFAOYSA-N
XLogP4.13
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1,2-dimethyl-2-phenylcyclopropyl)benzene
CID 3657661
3,6-dimethyl-3,6-diphenylcyclohexa-1,4-diene
CID 618605
2,2-dimethyl-1-phenylcyclopropane-1-carbonitrile
CID 13227702
4,4,6,6-tetraphenylcyclohex-2-en-1-one
CID 5248169
1-methyl-3,5,7-triphenyladamantane
CID 20728636
(1-methyl-2,2-diphenylcyclopropyl)benzene
CID 14338185
(1,3,3-triphenylcyclobutyl)benzene
CID 101271353
(1,3-dibromo-3-methylcyclobutyl)benzene
CID 134897738
(2S)-2-methyl-2-phenyloxirane
CID 11629614
ethane;4-methyl-4-phenylpiperidine
CID 91476557
(2R,4R,6R)-2,6-dimethyl-3,4-diphenyltetracyclo[5.4.0.02,4.03,6]undeca-1(11),7,9-triene
CID 134979898
(2R,5R)-2,5-dimethyl-2,5-diphenyl-1,4-dioxane
CID 1203325

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyl-1-phenylcyclopent-2-en-1-yl)benzene;hydrate?
The IUPAC name of (4,4-dimethyl-1-phenylcyclopent-2-en-1-yl)benzene;hydrate (CID 145427653) is (4,4-dimethyl-1-phenylcyclopent-2-en-1-yl)benzene;hydrate.
What is the SMILES notation for (4,4-dimethyl-1-phenylcyclopent-2-en-1-yl)benzene;hydrate?
The canonical SMILES for (4,4-dimethyl-1-phenylcyclopent-2-en-1-yl)benzene;hydrate is CC1(C)C=CC(c2ccccc2)(c2ccccc2)C1.O.
What is the InChIKey of (4,4-dimethyl-1-phenylcyclopent-2-en-1-yl)benzene;hydrate?
The InChIKey is BYRRNIXYLZWFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20.H2O/c1-18(2)13-14-19(15-18,16-9-5-3-6-10-16)17-11-7-4-8-12-17;/h3-14H,15H2,1-2H3;1H2.
What are the key properties of (4,4-dimethyl-1-phenylcyclopent-2-en-1-yl)benzene;hydrate?
(4,4-dimethyl-1-phenylcyclopent-2-en-1-yl)benzene;hydrate has a molecular weight of 266.38 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyl-1-phenylcyclopent-2-en-1-yl)benzene;hydrate is sourced from PubChem (CID 145427653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).