[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methanol

C17H18Cl2O3 — CID 11131640

IUPAC[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methanol
SMILESCOc1ccc(Oc2c(Cl)cc(CO)cc2Cl)cc1C(C)C
InChIInChI=1S/C17H18Cl2O3/c1-10(2)13-8-12(4-5-16(13)21-3)22-17-14(18)6-11(9-20)7-15(17)19/h4-8,10,20H,9H2,1-3H3
InChIKeyYJBUGSRJCVSLKC-UHFFFAOYSA-N
MW341.23 g/mol
LogP5.41
Rot. Bonds5

About [3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methanol

[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methanol (PubChem CID 11131640) has the molecular formula C17H18Cl2O3 and a molecular weight of 341.23 g/mol. Its IUPAC name is [3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methanol.

Molecular Properties

Compound Name[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methanol
PubChem CID11131640
Molecular FormulaC17H18Cl2O3
Molecular Weight341.23 g/mol
Exact Mass340.06
IUPAC Name[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methanol
SMILESCOc1ccc(Oc2c(Cl)cc(CO)cc2Cl)cc1C(C)C
InChIInChI=1S/C17H18Cl2O3/c1-10(2)13-8-12(4-5-16(13)21-3)22-17-14(18)6-11(9-20)7-15(17)19/h4-8,10,20H,9H2,1-3H3
InChIKeyYJBUGSRJCVSLKC-UHFFFAOYSA-N
XLogP5.41
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.23
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methanol?
The IUPAC name of [3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methanol (CID 11131640) is [3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methanol.
What is the SMILES notation for [3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methanol?
The canonical SMILES for [3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methanol is COc1ccc(Oc2c(Cl)cc(CO)cc2Cl)cc1C(C)C.
What is the InChIKey of [3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methanol?
The InChIKey is YJBUGSRJCVSLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2O3/c1-10(2)13-8-12(4-5-16(13)21-3)22-17-14(18)6-11(9-20)7-15(17)19/h4-8,10,20H,9H2,1-3H3.
What are the key properties of [3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methanol?
[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methanol has a molecular weight of 341.23 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]methanol is sourced from PubChem (CID 11131640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).