(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanol

C14H10Cl2F2O2 — CID 82772510

IUPAC(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cc(F)c(Cl)cc2F)cc1Cl
InChIInChI=1S/C14H10Cl2F2O2/c1-20-13-3-2-7(4-10(13)16)14(19)8-5-12(18)9(15)6-11(8)17/h2-6,14,19H,1H3
InChIKeyNDJLMRRSVUCLSZ-UHFFFAOYSA-N
MW319.13 g/mol
LogP4.36
Rot. Bonds3

About (4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanol

(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanol (PubChem CID 82772510) has the molecular formula C14H10Cl2F2O2 and a molecular weight of 319.13 g/mol. Its IUPAC name is (4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanol
PubChem CID82772510
Molecular FormulaC14H10Cl2F2O2
Molecular Weight319.13 g/mol
Exact Mass318.00
IUPAC Name(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cc(F)c(Cl)cc2F)cc1Cl
InChIInChI=1S/C14H10Cl2F2O2/c1-20-13-3-2-7(4-10(13)16)14(19)8-5-12(18)9(15)6-11(8)17/h2-6,14,19H,1H3
InChIKeyNDJLMRRSVUCLSZ-UHFFFAOYSA-N
XLogP4.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.13
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanamine
CID 82782889
(3-chloro-4-methoxyphenyl)-(4-fluorophenyl)methanol
CID 61100698
(2-chloro-4-fluorophenyl)-(3-chloro-4-methoxyphenyl)methanol
CID 61099671
(3-chloro-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol
CID 61101565
(3-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanol
CID 63194903
(3-chloro-4-fluorophenyl)-(2-methoxyphenyl)methanol
CID 63094000
(3-chloro-4-methoxyphenyl)-(2,6-difluorophenyl)methanol
CID 61099841
(3-chloro-4-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 63094497
(3-chloro-4-methoxyphenyl)-(3,5-difluorophenyl)methanol
CID 61100009
(4-chloro-3-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanol
CID 63895530
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 105399539
(3-chloro-4-methoxyphenyl)-(3-fluorophenyl)methanol
CID 61101567

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanol?
The IUPAC name of (4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanol (CID 82772510) is (4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanol.
What is the SMILES notation for (4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanol?
The canonical SMILES for (4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanol is COc1ccc(C(O)c2cc(F)c(Cl)cc2F)cc1Cl.
What is the InChIKey of (4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanol?
The InChIKey is NDJLMRRSVUCLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F2O2/c1-20-13-3-2-7(4-10(13)16)14(19)8-5-12(18)9(15)6-11(8)17/h2-6,14,19H,1H3.
What are the key properties of (4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanol?
(4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanol has a molecular weight of 319.13 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2,5-difluorophenyl)-(3-chloro-4-methoxyphenyl)methanol is sourced from PubChem (CID 82772510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).