(3-chloro-5-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol

C19H23ClO — CID 81316592

IUPAC(3-chloro-5-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol
SMILESCCC(C)(C)c1ccc(C(O)c2cc(C)cc(Cl)c2)cc1
InChIInChI=1S/C19H23ClO/c1-5-19(3,4)16-8-6-14(7-9-16)18(21)15-10-13(2)11-17(20)12-15/h6-12,18,21H,5H2,1-4H3
InChIKeyXSYJIXKTMGSISW-UHFFFAOYSA-N
MW302.85 g/mol
LogP5.42
Rot. Bonds4

About (3-chloro-5-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol

(3-chloro-5-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol (PubChem CID 81316592) has the molecular formula C19H23ClO and a molecular weight of 302.85 g/mol. Its IUPAC name is (3-chloro-5-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol.

Molecular Properties

Compound Name(3-chloro-5-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol
PubChem CID81316592
Molecular FormulaC19H23ClO
Molecular Weight302.85 g/mol
Exact Mass302.14
IUPAC Name(3-chloro-5-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol
SMILESCCC(C)(C)c1ccc(C(O)c2cc(C)cc(Cl)c2)cc1
InChIInChI=1S/C19H23ClO/c1-5-19(3,4)16-8-6-14(7-9-16)18(21)15-10-13(2)11-17(20)12-15/h6-12,18,21H,5H2,1-4H3
InChIKeyXSYJIXKTMGSISW-UHFFFAOYSA-N
XLogP5.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.85
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-butan-2-ylphenyl)-(3-chloro-5-methylphenyl)methanol
CID 81324135
(4-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 66260153
(4-butylphenyl)-(3-chloro-5-methylphenyl)methanol
CID 81324875
(3-bromo-4-ethoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 104661029
(3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 81324307
(4-chloro-3-methoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 115818074
(5-bromothiophen-3-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 107964313
(3-chloro-4-methylthiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 103404428
1-(3-chloro-5-methylphenyl)propan-1-ol
CID 115787792
(3-chlorothiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 80641514
(3,5-dichlorophenyl)-(4-ethylphenyl)methanol
CID 61087745
2-(3-chlorophenyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanol
CID 66257839

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol?
The IUPAC name of (3-chloro-5-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol (CID 81316592) is (3-chloro-5-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol.
What is the SMILES notation for (3-chloro-5-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol?
The canonical SMILES for (3-chloro-5-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol is CCC(C)(C)c1ccc(C(O)c2cc(C)cc(Cl)c2)cc1.
What is the InChIKey of (3-chloro-5-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol?
The InChIKey is XSYJIXKTMGSISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClO/c1-5-19(3,4)16-8-6-14(7-9-16)18(21)15-10-13(2)11-17(20)12-15/h6-12,18,21H,5H2,1-4H3.
What are the key properties of (3-chloro-5-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol?
(3-chloro-5-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol has a molecular weight of 302.85 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol is sourced from PubChem (CID 81316592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).