2,3-dimethyl-3-phenylcyclobutan-1-ol

C12H16O — CID 175816648

IUPAC2,3-dimethyl-3-phenylcyclobutan-1-ol
SMILESCC1C(O)CC1(C)c1ccccc1
InChIInChI=1S/C12H16O/c1-9-11(13)8-12(9,2)10-6-4-3-5-7-10/h3-7,9,11,13H,8H2,1-2H3
InChIKeyNVULWRWBMACOPI-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.35
Rot. Bonds1

About 2,3-dimethyl-3-phenylcyclobutan-1-ol

2,3-dimethyl-3-phenylcyclobutan-1-ol (PubChem CID 175816648) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 2,3-dimethyl-3-phenylcyclobutan-1-ol.

Molecular Properties

Compound Name2,3-dimethyl-3-phenylcyclobutan-1-ol
PubChem CID175816648
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name2,3-dimethyl-3-phenylcyclobutan-1-ol
SMILESCC1C(O)CC1(C)c1ccccc1
InChIInChI=1S/C12H16O/c1-9-11(13)8-12(9,2)10-6-4-3-5-7-10/h3-7,9,11,13H,8H2,1-2H3
InChIKeyNVULWRWBMACOPI-UHFFFAOYSA-N
XLogP2.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,2S)-2-methyl-2-phenylcyclopropan-1-ol
CID 121227035
cis-(1R,2S)-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 94252591
[(1S,2R)-2-methyl-2-phenylcyclopropyl]methanol
CID 15781967
cis-(1S,2R)-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 94252590
trans-(1R,3S)-2,2,3-trimethyl-3-phenylcyclobutan-1-ol
CID 175816739
cis-(1S,2R)-2-methyl-2-phenylcyclopropane-1-carbonitrile
CID 6427547
2,3-dimethyl-3-phenylcyclobutan-1-one
CID 131076191
[(2S,3R)-2,3-dimethyl-1-phenylcyclopropyl]benzene
CID 100931572
trans-(1S,2R)-2,4,4-trimethyl-1-phenylcyclopentan-1-ol
CID 124681224
methane;(3,3,5-trimethyl-1-phenylcyclohexyl)benzene
CID 173358944
(3S,5S)-3,5-dimethyl-5-phenyloxolan-2-one
CID 11745429
cis-(2S,3S)-3-hydroxy-2-methyl-2-phenylcyclopentan-1-one
CID 131179314

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-phenylcyclobutan-1-ol?
The IUPAC name of 2,3-dimethyl-3-phenylcyclobutan-1-ol (CID 175816648) is 2,3-dimethyl-3-phenylcyclobutan-1-ol.
What is the SMILES notation for 2,3-dimethyl-3-phenylcyclobutan-1-ol?
The canonical SMILES for 2,3-dimethyl-3-phenylcyclobutan-1-ol is CC1C(O)CC1(C)c1ccccc1.
What is the InChIKey of 2,3-dimethyl-3-phenylcyclobutan-1-ol?
The InChIKey is NVULWRWBMACOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-9-11(13)8-12(9,2)10-6-4-3-5-7-10/h3-7,9,11,13H,8H2,1-2H3.
What are the key properties of 2,3-dimethyl-3-phenylcyclobutan-1-ol?
2,3-dimethyl-3-phenylcyclobutan-1-ol has a molecular weight of 176.26 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-phenylcyclobutan-1-ol is sourced from PubChem (CID 175816648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).