(3-chlorophenyl)-(3-propan-2-yloxyphenyl)methanol

C16H17ClO2 — CID 63895368

IUPAC(3-chlorophenyl)-(3-propan-2-yloxyphenyl)methanol
SMILESCC(C)Oc1cccc(C(O)c2cccc(Cl)c2)c1
InChIInChI=1S/C16H17ClO2/c1-11(2)19-15-8-4-6-13(10-15)16(18)12-5-3-7-14(17)9-12/h3-11,16,18H,1-2H3
InChIKeyKRVKUVNQLWPAQT-UHFFFAOYSA-N
MW276.76 g/mol
LogP4.21
Rot. Bonds4

About (3-chlorophenyl)-(3-propan-2-yloxyphenyl)methanol

(3-chlorophenyl)-(3-propan-2-yloxyphenyl)methanol (PubChem CID 63895368) has the molecular formula C16H17ClO2 and a molecular weight of 276.76 g/mol. Its IUPAC name is (3-chlorophenyl)-(3-propan-2-yloxyphenyl)methanol.

Molecular Properties

Compound Name(3-chlorophenyl)-(3-propan-2-yloxyphenyl)methanol
PubChem CID63895368
Molecular FormulaC16H17ClO2
Molecular Weight276.76 g/mol
Exact Mass276.09
IUPAC Name(3-chlorophenyl)-(3-propan-2-yloxyphenyl)methanol
SMILESCC(C)Oc1cccc(C(O)c2cccc(Cl)c2)c1
InChIInChI=1S/C16H17ClO2/c1-11(2)19-15-8-4-6-13(10-15)16(18)12-5-3-7-14(17)9-12/h3-11,16,18H,1-2H3
InChIKeyKRVKUVNQLWPAQT-UHFFFAOYSA-N
XLogP4.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
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3-methyl-1-(3-propan-2-yloxyphenyl)butane-1,2-diol
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1-(3,5-dichlorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(3-propan-2-yloxyphenyl)methanol?
The IUPAC name of (3-chlorophenyl)-(3-propan-2-yloxyphenyl)methanol (CID 63895368) is (3-chlorophenyl)-(3-propan-2-yloxyphenyl)methanol.
What is the SMILES notation for (3-chlorophenyl)-(3-propan-2-yloxyphenyl)methanol?
The canonical SMILES for (3-chlorophenyl)-(3-propan-2-yloxyphenyl)methanol is CC(C)Oc1cccc(C(O)c2cccc(Cl)c2)c1.
What is the InChIKey of (3-chlorophenyl)-(3-propan-2-yloxyphenyl)methanol?
The InChIKey is KRVKUVNQLWPAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO2/c1-11(2)19-15-8-4-6-13(10-15)16(18)12-5-3-7-14(17)9-12/h3-11,16,18H,1-2H3.
What are the key properties of (3-chlorophenyl)-(3-propan-2-yloxyphenyl)methanol?
(3-chlorophenyl)-(3-propan-2-yloxyphenyl)methanol has a molecular weight of 276.76 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(3-propan-2-yloxyphenyl)methanol is sourced from PubChem (CID 63895368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).