2,2-dimethyl-3-(4-phenylmethoxyphenyl)cyclobutan-1-ol

C19H22O2 — CID 81416557

IUPAC2,2-dimethyl-3-(4-phenylmethoxyphenyl)cyclobutan-1-ol
SMILESCC1(C)C(O)CC1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H22O2/c1-19(2)17(12-18(19)20)15-8-10-16(11-9-15)21-13-14-6-4-3-5-7-14/h3-11,17-18,20H,12-13H2,1-2H3
InChIKeySRZOINHZYYGYBB-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.14
Rot. Bonds4

About 2,2-dimethyl-3-(4-phenylmethoxyphenyl)cyclobutan-1-ol

2,2-dimethyl-3-(4-phenylmethoxyphenyl)cyclobutan-1-ol (PubChem CID 81416557) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2,2-dimethyl-3-(4-phenylmethoxyphenyl)cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(4-phenylmethoxyphenyl)cyclobutan-1-ol
PubChem CID81416557
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name2,2-dimethyl-3-(4-phenylmethoxyphenyl)cyclobutan-1-ol
SMILESCC1(C)C(O)CC1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H22O2/c1-19(2)17(12-18(19)20)15-8-10-16(11-9-15)21-13-14-6-4-3-5-7-14/h3-11,17-18,20H,12-13H2,1-2H3
InChIKeySRZOINHZYYGYBB-UHFFFAOYSA-N
XLogP4.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-2-methylcyclopropyl]-4-phenylmethoxybenzene
CID 121309338
1-[(1S)-2,2-dichlorocyclopropyl]-4-phenylmethoxybenzene
CID 125154534
4-(4-phenylmethoxyphenyl)cyclohexan-1-ol
CID 19602799
cis-(1R,2S)-1-ethyl-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 90212958
2,2,6,6-tetramethyl-4-(4-phenylmethoxyphenyl)piperidine
CID 21421702
1-[(1S,2R)-2-bromocyclopropyl]-4-phenylmethoxybenzene
CID 130539986
cis-(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 51888240
2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid
CID 151797160
N-methyl-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 56787945
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980
trans-ethyl (1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate
CID 66714771

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(4-phenylmethoxyphenyl)cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(4-phenylmethoxyphenyl)cyclobutan-1-ol (CID 81416557) is 2,2-dimethyl-3-(4-phenylmethoxyphenyl)cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(4-phenylmethoxyphenyl)cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(4-phenylmethoxyphenyl)cyclobutan-1-ol is CC1(C)C(O)CC1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2,2-dimethyl-3-(4-phenylmethoxyphenyl)cyclobutan-1-ol?
The InChIKey is SRZOINHZYYGYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-19(2)17(12-18(19)20)15-8-10-16(11-9-15)21-13-14-6-4-3-5-7-14/h3-11,17-18,20H,12-13H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-(4-phenylmethoxyphenyl)cyclobutan-1-ol?
2,2-dimethyl-3-(4-phenylmethoxyphenyl)cyclobutan-1-ol has a molecular weight of 282.38 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(4-phenylmethoxyphenyl)cyclobutan-1-ol is sourced from PubChem (CID 81416557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).