(2-chlorophenyl)-[2,4-di(propan-2-yl)phenyl]methanol

C19H23ClO — CID 63427004

IUPAC(2-chlorophenyl)-[2,4-di(propan-2-yl)phenyl]methanol
SMILESCC(C)c1ccc(C(O)c2ccccc2Cl)c(C(C)C)c1
InChIInChI=1S/C19H23ClO/c1-12(2)14-9-10-15(17(11-14)13(3)4)19(21)16-7-5-6-8-18(16)20/h5-13,19,21H,1-4H3
InChIKeyJROJTJONULHNFF-UHFFFAOYSA-N
MW302.84 g/mol
LogP5.67
Rot. Bonds4

About (2-chlorophenyl)-[2,4-di(propan-2-yl)phenyl]methanol

(2-chlorophenyl)-[2,4-di(propan-2-yl)phenyl]methanol (PubChem CID 63427004) has the molecular formula C19H23ClO and a molecular weight of 302.84 g/mol. Its IUPAC name is (2-chlorophenyl)-[2,4-di(propan-2-yl)phenyl]methanol.

Molecular Properties

Compound Name(2-chlorophenyl)-[2,4-di(propan-2-yl)phenyl]methanol
PubChem CID63427004
Molecular FormulaC19H23ClO
Molecular Weight302.84 g/mol
Exact Mass302.14
IUPAC Name(2-chlorophenyl)-[2,4-di(propan-2-yl)phenyl]methanol
SMILESCC(C)c1ccc(C(O)c2ccccc2Cl)c(C(C)C)c1
InChIInChI=1S/C19H23ClO/c1-12(2)14-9-10-15(17(11-14)13(3)4)19(21)16-7-5-6-8-18(16)20/h5-13,19,21H,1-4H3
InChIKeyJROJTJONULHNFF-UHFFFAOYSA-N
XLogP5.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.84
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-(2-chlorophenyl)-(4-methylphenyl)methanol
CID 7107251
(1R)-2,2,2-trichloro-1-[2,5-di(propan-2-yl)phenyl]ethanol
CID 125466999
(1R)-2-chloro-1-[2,4-di(propan-2-yl)phenyl]ethanol
CID 25324257
[2,4-di(propan-2-yl)phenyl]-[4-(hydroxymethyl)phenyl]methanol
CID 14096565
(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methanol
CID 61081100
[2,4-di(propan-2-yl)phenyl]-thiophen-3-ylmethanol
CID 61087925
(2-chlorophenyl)-[4-(2-methylpropyl)phenyl]methanol
CID 63428149
1-[2,4-di(propan-2-yl)phenyl]-2,2-difluoroethanol
CID 113435253
(4-bromophenyl)-(2-chlorophenyl)methanol
CID 11312546
(2-chlorophenyl)-(4-methylsulfanylphenyl)methanol
CID 114980455
(1R)-1-[3,4-di(propan-2-yl)phenyl]ethanol
CID 125467174
1-chloro-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene
CID 158048784

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[2,4-di(propan-2-yl)phenyl]methanol?
The IUPAC name of (2-chlorophenyl)-[2,4-di(propan-2-yl)phenyl]methanol (CID 63427004) is (2-chlorophenyl)-[2,4-di(propan-2-yl)phenyl]methanol.
What is the SMILES notation for (2-chlorophenyl)-[2,4-di(propan-2-yl)phenyl]methanol?
The canonical SMILES for (2-chlorophenyl)-[2,4-di(propan-2-yl)phenyl]methanol is CC(C)c1ccc(C(O)c2ccccc2Cl)c(C(C)C)c1.
What is the InChIKey of (2-chlorophenyl)-[2,4-di(propan-2-yl)phenyl]methanol?
The InChIKey is JROJTJONULHNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClO/c1-12(2)14-9-10-15(17(11-14)13(3)4)19(21)16-7-5-6-8-18(16)20/h5-13,19,21H,1-4H3.
What are the key properties of (2-chlorophenyl)-[2,4-di(propan-2-yl)phenyl]methanol?
(2-chlorophenyl)-[2,4-di(propan-2-yl)phenyl]methanol has a molecular weight of 302.84 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[2,4-di(propan-2-yl)phenyl]methanol is sourced from PubChem (CID 63427004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).