(2,5-dichlorophenyl)-(3-propoxyphenyl)methanol

C16H16Cl2O2 — CID 62919523

IUPAC(2,5-dichlorophenyl)-(3-propoxyphenyl)methanol
SMILESCCCOc1cccc(C(O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C16H16Cl2O2/c1-2-8-20-13-5-3-4-11(9-13)16(19)14-10-12(17)6-7-15(14)18/h3-7,9-10,16,19H,2,8H2,1H3
InChIKeyRZVBCUAOKCANFN-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.86
Rot. Bonds5

About (2,5-dichlorophenyl)-(3-propoxyphenyl)methanol

(2,5-dichlorophenyl)-(3-propoxyphenyl)methanol (PubChem CID 62919523) has the molecular formula C16H16Cl2O2 and a molecular weight of 311.21 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-(3-propoxyphenyl)methanol.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-(3-propoxyphenyl)methanol
PubChem CID62919523
Molecular FormulaC16H16Cl2O2
Molecular Weight311.21 g/mol
Exact Mass310.05
IUPAC Name(2,5-dichlorophenyl)-(3-propoxyphenyl)methanol
SMILESCCCOc1cccc(C(O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C16H16Cl2O2/c1-2-8-20-13-5-3-4-11(9-13)16(19)14-10-12(17)6-7-15(14)18/h3-7,9-10,16,19H,2,8H2,1H3
InChIKeyRZVBCUAOKCANFN-UHFFFAOYSA-N
XLogP4.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methoxyphenyl)-(3-propoxyphenyl)methanol
CID 63894602
(2-ethoxyphenyl)-(3-propoxyphenyl)methanol
CID 63894023
(2,5-dibromophenyl)-(3-propoxyphenyl)methanol
CID 63425956
1-(4-chlorophenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 62919848
(3-propoxyphenyl)-(4-propylphenyl)methanol
CID 62919013
1-benzothiophen-7-yl-(3-propoxyphenyl)methanol
CID 81131839
(2,5-dichlorophenyl)-[3-(dimethylamino)phenyl]methanol
CID 105093347
(4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanol
CID 63082099
[(2-chlorophenyl)-(3-propoxyphenyl)methyl]hydrazine
CID 105287434
1-(3-propoxyphenyl)pentan-1-ol
CID 65145757
4-[chloro-(3-propoxyphenyl)methyl]-1,2-difluorobenzene
CID 63431622
(2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methanol
CID 61082000

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-(3-propoxyphenyl)methanol?
The IUPAC name of (2,5-dichlorophenyl)-(3-propoxyphenyl)methanol (CID 62919523) is (2,5-dichlorophenyl)-(3-propoxyphenyl)methanol.
What is the SMILES notation for (2,5-dichlorophenyl)-(3-propoxyphenyl)methanol?
The canonical SMILES for (2,5-dichlorophenyl)-(3-propoxyphenyl)methanol is CCCOc1cccc(C(O)c2cc(Cl)ccc2Cl)c1.
What is the InChIKey of (2,5-dichlorophenyl)-(3-propoxyphenyl)methanol?
The InChIKey is RZVBCUAOKCANFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O2/c1-2-8-20-13-5-3-4-11(9-13)16(19)14-10-12(17)6-7-15(14)18/h3-7,9-10,16,19H,2,8H2,1H3.
What are the key properties of (2,5-dichlorophenyl)-(3-propoxyphenyl)methanol?
(2,5-dichlorophenyl)-(3-propoxyphenyl)methanol has a molecular weight of 311.21 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-(3-propoxyphenyl)methanol is sourced from PubChem (CID 62919523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).