(3,3-dimethoxy-5-phenylpentyl)benzene

C19H24O2 — CID 22910276

IUPAC(3,3-dimethoxy-5-phenylpentyl)benzene
SMILESCOC(CCc1ccccc1)(CCc1ccccc1)OC
InChIInChI=1S/C19H24O2/c1-20-19(21-2,15-13-17-9-5-3-6-10-17)16-14-18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3
InChIKeyFJGNUTLVLXFQPA-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.24
Rot. Bonds8

About (3,3-dimethoxy-5-phenylpentyl)benzene

(3,3-dimethoxy-5-phenylpentyl)benzene (PubChem CID 22910276) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is (3,3-dimethoxy-5-phenylpentyl)benzene.

Molecular Properties

Compound Name(3,3-dimethoxy-5-phenylpentyl)benzene
PubChem CID22910276
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name(3,3-dimethoxy-5-phenylpentyl)benzene
SMILESCOC(CCc1ccccc1)(CCc1ccccc1)OC
InChIInChI=1S/C19H24O2/c1-20-19(21-2,15-13-17-9-5-3-6-10-17)16-14-18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3
InChIKeyFJGNUTLVLXFQPA-UHFFFAOYSA-N
XLogP4.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-Phenylpropionaldehyde dimethyl acetal
CID 62336
1,1-Bis(phenethyloxy)ethane
CID 101592
(3-Methoxy-2-methylpropyl)benzene
CID 22336876
Benzene, 1-(2,2-dimethoxyethyl)-4-methyl-
CID 162533
1,1'-(Dimethoxymethylene)bisbenzene
CID 75228
1,1-Dimethoxy-3-phenylpropane
CID 95979
(3,3-Diethoxypropyl)benzene
CID 64820
(6e)-1,7-Diphenylhept-6-en-3-ol
CID 5316931
(3S,5S)-1,7-diphenylheptane-3,5-diol
CID 15694187
Cyclamen aldehyde dimethyl acetal
CID 64863
1,5-Diphenylpentan-3-ol
CID 12838510
2-(2-Methoxypropan-2-ylperoxy)ethylbenzene
CID 10987532

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethoxy-5-phenylpentyl)benzene?
The IUPAC name of (3,3-dimethoxy-5-phenylpentyl)benzene (CID 22910276) is (3,3-dimethoxy-5-phenylpentyl)benzene.
What is the SMILES notation for (3,3-dimethoxy-5-phenylpentyl)benzene?
The canonical SMILES for (3,3-dimethoxy-5-phenylpentyl)benzene is COC(CCc1ccccc1)(CCc1ccccc1)OC.
What is the InChIKey of (3,3-dimethoxy-5-phenylpentyl)benzene?
The InChIKey is FJGNUTLVLXFQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c1-20-19(21-2,15-13-17-9-5-3-6-10-17)16-14-18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3.
What are the key properties of (3,3-dimethoxy-5-phenylpentyl)benzene?
(3,3-dimethoxy-5-phenylpentyl)benzene has a molecular weight of 284.40 g/mol, XLogP of 4.24, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethoxy-5-phenylpentyl)benzene is sourced from PubChem (CID 22910276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).