1,3-bis(3,5-dimethylphenyl)propan-2-ol

C19H24O — CID 63411020

IUPAC1,3-bis(3,5-dimethylphenyl)propan-2-ol
SMILESCc1cc(C)cc(CC(O)Cc2cc(C)cc(C)c2)c1
InChIInChI=1S/C19H24O/c1-13-5-14(2)8-17(7-13)11-19(20)12-18-9-15(3)6-16(4)10-18/h5-10,19-20H,11-12H2,1-4H3
InChIKeyMAEHRYMCMUUGSS-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.07
Rot. Bonds4

About 1,3-bis(3,5-dimethylphenyl)propan-2-ol

1,3-bis(3,5-dimethylphenyl)propan-2-ol (PubChem CID 63411020) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1,3-bis(3,5-dimethylphenyl)propan-2-ol.

Molecular Properties

Compound Name1,3-bis(3,5-dimethylphenyl)propan-2-ol
PubChem CID63411020
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name1,3-bis(3,5-dimethylphenyl)propan-2-ol
SMILESCc1cc(C)cc(CC(O)Cc2cc(C)cc(C)c2)c1
InChIInChI=1S/C19H24O/c1-13-5-14(2)8-17(7-13)11-19(20)12-18-9-15(3)6-16(4)10-18/h5-10,19-20H,11-12H2,1-4H3
InChIKeyMAEHRYMCMUUGSS-UHFFFAOYSA-N
XLogP4.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1-(3,5-dimethylphenyl)propan-2-ol
CID 93461855
1-(3,5-dimethylphenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61375136
1-(3,5-dimethylphenyl)-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79824564
1-(3,5-dimethylphenyl)-4-methoxy-4-methylpentan-2-ol
CID 103027420
1-cyclopentyl-3-(3,5-dimethylphenyl)propan-2-ol
CID 62607509
1-(3,5-dimethylphenyl)-2-methylpentan-3-ol
CID 63562396
1-(3,5-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 66064590
1-(3-chloro-2-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-ol
CID 82802408
1-(3,5-dimethylphenyl)-4-(2-methylphenyl)butan-2-ol
CID 105079612
4-cyclohexyl-1-(3,5-dimethylphenyl)butan-2-ol
CID 114980328
1-(1,3-benzothiazol-2-yl)-3-(3,5-dimethylphenyl)propan-2-ol
CID 79826149
1-(4-chlorophenoxy)-3-(3,5-dimethylphenyl)propan-2-ol
CID 105079601

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3,5-dimethylphenyl)propan-2-ol?
The IUPAC name of 1,3-bis(3,5-dimethylphenyl)propan-2-ol (CID 63411020) is 1,3-bis(3,5-dimethylphenyl)propan-2-ol.
What is the SMILES notation for 1,3-bis(3,5-dimethylphenyl)propan-2-ol?
The canonical SMILES for 1,3-bis(3,5-dimethylphenyl)propan-2-ol is Cc1cc(C)cc(CC(O)Cc2cc(C)cc(C)c2)c1.
What is the InChIKey of 1,3-bis(3,5-dimethylphenyl)propan-2-ol?
The InChIKey is MAEHRYMCMUUGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O/c1-13-5-14(2)8-17(7-13)11-19(20)12-18-9-15(3)6-16(4)10-18/h5-10,19-20H,11-12H2,1-4H3.
What are the key properties of 1,3-bis(3,5-dimethylphenyl)propan-2-ol?
1,3-bis(3,5-dimethylphenyl)propan-2-ol has a molecular weight of 268.40 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3,5-dimethylphenyl)propan-2-ol is sourced from PubChem (CID 63411020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).