1-[(1S,2R,3R,4S)-2,3-dimethyl-4-phenylcyclobutyl]-4-methoxybenzene

C19H22O — CID 134955785

IUPAC1-[(1S,2R,3R,4S)-2,3-dimethyl-4-phenylcyclobutyl]-4-methoxybenzene
SMILESCOc1ccc([C@H]2[C@H](C)[C@@H](C)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C19H22O/c1-13-14(2)19(16-9-11-17(20-3)12-10-16)18(13)15-7-5-4-6-8-15/h4-14,18-19H,1-3H3/t13-,14-,18-,19-/m1/s1
InChIKeyPIWGRLYHUBTFRA-TWKYDXJASA-N
MW266.38 g/mol
LogP4.85
Rot. Bonds3

About 1-[(1S,2R,3R,4S)-2,3-dimethyl-4-phenylcyclobutyl]-4-methoxybenzene

1-[(1S,2R,3R,4S)-2,3-dimethyl-4-phenylcyclobutyl]-4-methoxybenzene (PubChem CID 134955785) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-[(1S,2R,3R,4S)-2,3-dimethyl-4-phenylcyclobutyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(1S,2R,3R,4S)-2,3-dimethyl-4-phenylcyclobutyl]-4-methoxybenzene
PubChem CID134955785
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name1-[(1S,2R,3R,4S)-2,3-dimethyl-4-phenylcyclobutyl]-4-methoxybenzene
SMILESCOc1ccc([C@H]2[C@H](C)[C@@H](C)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C19H22O/c1-13-14(2)19(16-9-11-17(20-3)12-10-16)18(13)15-7-5-4-6-8-15/h4-14,18-19H,1-3H3/t13-,14-,18-,19-/m1/s1
InChIKeyPIWGRLYHUBTFRA-TWKYDXJASA-N
XLogP4.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(1R,2R,3S)-2-(4-methoxyphenyl)-3-phenylcyclopropyl]methanol
CID 177492101
(4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium
CID 10259813
1-methoxy-4-(3-phenylcyclobutyl)benzene
CID 125465439
(4-methoxyphenyl)-phenyliodanium bromide
CID 11058256
2,5-bis(4-methoxyphenyl)-3,4-dimethyloxolane
CID 14681590
anisole;trihydrofluoride
CID 174796385
anisole;hydrochloride
CID 158800007
CID 172685187
CID 172685187
(4S,5R)-4,5-bis(4-methoxyphenyl)-1,3-diphenylimidazolidine
CID 10961096
1-[2,3-diethyl-4-(4-methoxyphenyl)cyclobutyl]-4-methoxybenzene
CID 132838740
(4-methoxyphenyl)methyl-phenyliodanium
CID 22385450
(3S,4R,5R)-5-(4-methoxyphenyl)-4-methyl-3-[[(1S)-1-phenylethyl]amino]oxolan-2-one
CID 15946376

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R,3R,4S)-2,3-dimethyl-4-phenylcyclobutyl]-4-methoxybenzene?
The IUPAC name of 1-[(1S,2R,3R,4S)-2,3-dimethyl-4-phenylcyclobutyl]-4-methoxybenzene (CID 134955785) is 1-[(1S,2R,3R,4S)-2,3-dimethyl-4-phenylcyclobutyl]-4-methoxybenzene.
What is the SMILES notation for 1-[(1S,2R,3R,4S)-2,3-dimethyl-4-phenylcyclobutyl]-4-methoxybenzene?
The canonical SMILES for 1-[(1S,2R,3R,4S)-2,3-dimethyl-4-phenylcyclobutyl]-4-methoxybenzene is COc1ccc([C@H]2[C@H](C)[C@@H](C)[C@@H]2c2ccccc2)cc1.
What is the InChIKey of 1-[(1S,2R,3R,4S)-2,3-dimethyl-4-phenylcyclobutyl]-4-methoxybenzene?
The InChIKey is PIWGRLYHUBTFRA-TWKYDXJASA-N. The full InChI is InChI=1S/C19H22O/c1-13-14(2)19(16-9-11-17(20-3)12-10-16)18(13)15-7-5-4-6-8-15/h4-14,18-19H,1-3H3/t13-,14-,18-,19-/m1/s1.
What are the key properties of 1-[(1S,2R,3R,4S)-2,3-dimethyl-4-phenylcyclobutyl]-4-methoxybenzene?
1-[(1S,2R,3R,4S)-2,3-dimethyl-4-phenylcyclobutyl]-4-methoxybenzene has a molecular weight of 266.38 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R,3R,4S)-2,3-dimethyl-4-phenylcyclobutyl]-4-methoxybenzene is sourced from PubChem (CID 134955785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).