(4-chloro-3-methylphenyl)-(2-propan-2-yloxyphenyl)methanol

C17H19ClO2 — CID 115823780

IUPAC(4-chloro-3-methylphenyl)-(2-propan-2-yloxyphenyl)methanol
SMILESCc1cc(C(O)c2ccccc2OC(C)C)ccc1Cl
InChIInChI=1S/C17H19ClO2/c1-11(2)20-16-7-5-4-6-14(16)17(19)13-8-9-15(18)12(3)10-13/h4-11,17,19H,1-3H3
InChIKeyBPSWQEPOJBSZJZ-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.52
Rot. Bonds4

About (4-chloro-3-methylphenyl)-(2-propan-2-yloxyphenyl)methanol

(4-chloro-3-methylphenyl)-(2-propan-2-yloxyphenyl)methanol (PubChem CID 115823780) has the molecular formula C17H19ClO2 and a molecular weight of 290.79 g/mol. Its IUPAC name is (4-chloro-3-methylphenyl)-(2-propan-2-yloxyphenyl)methanol.

Molecular Properties

Compound Name(4-chloro-3-methylphenyl)-(2-propan-2-yloxyphenyl)methanol
PubChem CID115823780
Molecular FormulaC17H19ClO2
Molecular Weight290.79 g/mol
Exact Mass290.11
IUPAC Name(4-chloro-3-methylphenyl)-(2-propan-2-yloxyphenyl)methanol
SMILESCc1cc(C(O)c2ccccc2OC(C)C)ccc1Cl
InChIInChI=1S/C17H19ClO2/c1-11(2)20-16-7-5-4-6-14(16)17(19)13-8-9-15(18)12(3)10-13/h4-11,17,19H,1-3H3
InChIKeyBPSWQEPOJBSZJZ-UHFFFAOYSA-N
XLogP4.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-3-methylphenyl)-(2-ethoxyphenyl)methanol
CID 115795759
[3-(difluoromethyl)phenyl]-(2-propan-2-yloxyphenyl)methanol
CID 115527689
(3-iodophenyl)-(2-propan-2-yloxyphenyl)methanol
CID 115823656
(3,5-dibromophenyl)-(2-propan-2-yloxyphenyl)methanol
CID 107978570
4-[hydroxy-(2-propan-2-yloxyphenyl)methyl]benzonitrile
CID 115480983
(4-chloro-3-methylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 115793761
(4-fluoro-3-methylphenyl)-(2-methoxyphenyl)methanol
CID 60929843
(3-chloro-4-fluorophenyl)-(2-methoxyphenyl)methanol
CID 63094000
(5-bromo-4-methylthiophen-2-yl)-(2-propan-2-yloxyphenyl)methanol
CID 115823703
(4-chloro-3-fluorophenyl)-(2-methylphenyl)methanol
CID 63895727
(R)-(4-chloro-3-methylphenyl)-pyridin-2-ylmethanol
CID 97292925
1-(2-propan-2-yloxyphenyl)propane-1,2-diol
CID 103452569

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methylphenyl)-(2-propan-2-yloxyphenyl)methanol?
The IUPAC name of (4-chloro-3-methylphenyl)-(2-propan-2-yloxyphenyl)methanol (CID 115823780) is (4-chloro-3-methylphenyl)-(2-propan-2-yloxyphenyl)methanol.
What is the SMILES notation for (4-chloro-3-methylphenyl)-(2-propan-2-yloxyphenyl)methanol?
The canonical SMILES for (4-chloro-3-methylphenyl)-(2-propan-2-yloxyphenyl)methanol is Cc1cc(C(O)c2ccccc2OC(C)C)ccc1Cl.
What is the InChIKey of (4-chloro-3-methylphenyl)-(2-propan-2-yloxyphenyl)methanol?
The InChIKey is BPSWQEPOJBSZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO2/c1-11(2)20-16-7-5-4-6-14(16)17(19)13-8-9-15(18)12(3)10-13/h4-11,17,19H,1-3H3.
What are the key properties of (4-chloro-3-methylphenyl)-(2-propan-2-yloxyphenyl)methanol?
(4-chloro-3-methylphenyl)-(2-propan-2-yloxyphenyl)methanol has a molecular weight of 290.79 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methylphenyl)-(2-propan-2-yloxyphenyl)methanol is sourced from PubChem (CID 115823780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).