(2-tert-butylphenyl)-(2-chloro-4,5-dimethylphenyl)methanol

C19H23ClO — CID 115484576

IUPAC(2-tert-butylphenyl)-(2-chloro-4,5-dimethylphenyl)methanol
SMILESCc1cc(Cl)c(C(O)c2ccccc2C(C)(C)C)cc1C
InChIInChI=1S/C19H23ClO/c1-12-10-15(17(20)11-13(12)2)18(21)14-8-6-7-9-16(14)19(3,4)5/h6-11,18,21H,1-5H3
InChIKeyRDQDATZHSNUMAF-UHFFFAOYSA-N
MW302.85 g/mol
LogP5.34
Rot. Bonds2

About (2-tert-butylphenyl)-(2-chloro-4,5-dimethylphenyl)methanol

(2-tert-butylphenyl)-(2-chloro-4,5-dimethylphenyl)methanol (PubChem CID 115484576) has the molecular formula C19H23ClO and a molecular weight of 302.85 g/mol. Its IUPAC name is (2-tert-butylphenyl)-(2-chloro-4,5-dimethylphenyl)methanol.

Molecular Properties

Compound Name(2-tert-butylphenyl)-(2-chloro-4,5-dimethylphenyl)methanol
PubChem CID115484576
Molecular FormulaC19H23ClO
Molecular Weight302.85 g/mol
Exact Mass302.14
IUPAC Name(2-tert-butylphenyl)-(2-chloro-4,5-dimethylphenyl)methanol
SMILESCc1cc(Cl)c(C(O)c2ccccc2C(C)(C)C)cc1C
InChIInChI=1S/C19H23ClO/c1-12-10-15(17(20)11-13(12)2)18(21)14-8-6-7-9-16(14)19(3,4)5/h6-11,18,21H,1-5H3
InChIKeyRDQDATZHSNUMAF-UHFFFAOYSA-N
XLogP5.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.85
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-tert-butylphenyl)-(2-chlorophenyl)methanol
CID 114980515
(2-tert-butylphenyl)-(2-chloro-5-fluorophenyl)methanol
CID 105397590
(2-chloro-4,5-dimethylphenyl)-(2-methylsulfanylphenyl)methanol
CID 115484546
(2-tert-butylphenyl)-(5-chloro-2-methoxyphenyl)methanol
CID 104546182
(2-chloro-4-fluoro-5-methylphenyl)-(2-fluorophenyl)methanol
CID 81045704
(2-chloro-4,5-dimethylphenyl)-(2,3-difluorophenyl)methanol
CID 115484592
(2-tert-butylphenyl)-(4-methyl-3-pyridinyl)methanol
CID 115817782
(2-tert-butylphenyl)-[3-[(2-tert-butylphenyl)-hydroxymethyl]phenyl]methanol
CID 170551631
(2-chloro-4,5-dimethylphenyl)-(2-methylfuran-3-yl)methanol
CID 115484595
(2-tert-butylphenyl)-phenylmethanol
CID 19438357
(2-chloro-4-fluoro-5-methylphenyl)-(2,3-dimethylphenyl)methanol
CID 81050964
(2-chloro-4,5-dimethylphenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107964349

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylphenyl)-(2-chloro-4,5-dimethylphenyl)methanol?
The IUPAC name of (2-tert-butylphenyl)-(2-chloro-4,5-dimethylphenyl)methanol (CID 115484576) is (2-tert-butylphenyl)-(2-chloro-4,5-dimethylphenyl)methanol.
What is the SMILES notation for (2-tert-butylphenyl)-(2-chloro-4,5-dimethylphenyl)methanol?
The canonical SMILES for (2-tert-butylphenyl)-(2-chloro-4,5-dimethylphenyl)methanol is Cc1cc(Cl)c(C(O)c2ccccc2C(C)(C)C)cc1C.
What is the InChIKey of (2-tert-butylphenyl)-(2-chloro-4,5-dimethylphenyl)methanol?
The InChIKey is RDQDATZHSNUMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClO/c1-12-10-15(17(20)11-13(12)2)18(21)14-8-6-7-9-16(14)19(3,4)5/h6-11,18,21H,1-5H3.
What are the key properties of (2-tert-butylphenyl)-(2-chloro-4,5-dimethylphenyl)methanol?
(2-tert-butylphenyl)-(2-chloro-4,5-dimethylphenyl)methanol has a molecular weight of 302.85 g/mol, XLogP of 5.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylphenyl)-(2-chloro-4,5-dimethylphenyl)methanol is sourced from PubChem (CID 115484576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).