2-methyl-1-phenyl-3-phenylmethoxycyclobutan-1-ol

C18H20O2 — CID 172787553

IUPAC2-methyl-1-phenyl-3-phenylmethoxycyclobutan-1-ol
SMILESCC1C(OCc2ccccc2)CC1(O)c1ccccc1
InChIInChI=1S/C18H20O2/c1-14-17(20-13-15-8-4-2-5-9-15)12-18(14,19)16-10-6-3-7-11-16/h2-11,14,17,19H,12-13H2,1H3
InChIKeyPCMBNKMXGPUUDR-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.50
Rot. Bonds4

About 2-methyl-1-phenyl-3-phenylmethoxycyclobutan-1-ol

2-methyl-1-phenyl-3-phenylmethoxycyclobutan-1-ol (PubChem CID 172787553) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-methyl-1-phenyl-3-phenylmethoxycyclobutan-1-ol.

Molecular Properties

Compound Name2-methyl-1-phenyl-3-phenylmethoxycyclobutan-1-ol
PubChem CID172787553
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name2-methyl-1-phenyl-3-phenylmethoxycyclobutan-1-ol
SMILESCC1C(OCc2ccccc2)CC1(O)c1ccccc1
InChIInChI=1S/C18H20O2/c1-14-17(20-13-15-8-4-2-5-9-15)12-18(14,19)16-10-6-3-7-11-16/h2-11,14,17,19H,12-13H2,1H3
InChIKeyPCMBNKMXGPUUDR-UHFFFAOYSA-N
XLogP3.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-3-phenylmethoxycyclobutan-1-ol
CID 135138338
azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene
CID 66809677
[(1R,2S)-2-methylcyclohexyl]oxymethylbenzene
CID 168960565
[(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene
CID 163224715
(2-methylcyclobutyl)oxymethylbenzene
CID 163589446
3-phenylmethoxycyclobutane-1,1-diol
CID 170382479
[(1R,2R)-2-methyl-2-phenylcyclopropyl]oxymethylbenzene
CID 100970284
(1R,3R,4S)-3-methyl-4-phenylmethoxycyclopentan-1-ol
CID 134527646
trans-dimethyl (4S,5S)-4,5-bis(phenylmethoxy)cyclohexane-1,2-dicarboxylate
CID 11004179
(2R,3R,5R,6S)-1-methyl-2,3,4,5,6-pentakis(phenylmethoxy)cyclohexan-1-ol
CID 102432631
(1,2-dimethyl-3-phenylmethoxycyclopropyl)oxymethylbenzene
CID 90999367
(2S,3R)-2-methyl-3-phenylmethoxyazetidine
CID 163409920

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyl-3-phenylmethoxycyclobutan-1-ol?
The IUPAC name of 2-methyl-1-phenyl-3-phenylmethoxycyclobutan-1-ol (CID 172787553) is 2-methyl-1-phenyl-3-phenylmethoxycyclobutan-1-ol.
What is the SMILES notation for 2-methyl-1-phenyl-3-phenylmethoxycyclobutan-1-ol?
The canonical SMILES for 2-methyl-1-phenyl-3-phenylmethoxycyclobutan-1-ol is CC1C(OCc2ccccc2)CC1(O)c1ccccc1.
What is the InChIKey of 2-methyl-1-phenyl-3-phenylmethoxycyclobutan-1-ol?
The InChIKey is PCMBNKMXGPUUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-14-17(20-13-15-8-4-2-5-9-15)12-18(14,19)16-10-6-3-7-11-16/h2-11,14,17,19H,12-13H2,1H3.
What are the key properties of 2-methyl-1-phenyl-3-phenylmethoxycyclobutan-1-ol?
2-methyl-1-phenyl-3-phenylmethoxycyclobutan-1-ol has a molecular weight of 268.36 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyl-3-phenylmethoxycyclobutan-1-ol is sourced from PubChem (CID 172787553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).