1-chloro-6-(3-chloro-4-hydroxyphenyl)naphthalen-2-ol

C16H10Cl2O2 — CID 10125582

IUPAC1-chloro-6-(3-chloro-4-hydroxyphenyl)naphthalen-2-ol
SMILESOc1ccc(-c2ccc3c(Cl)c(O)ccc3c2)cc1Cl
InChIInChI=1S/C16H10Cl2O2/c17-13-8-10(2-5-14(13)19)9-1-4-12-11(7-9)3-6-15(20)16(12)18/h1-8,19-20H
InChIKeyFWRUMAVROMTQMY-UHFFFAOYSA-N
MW305.16 g/mol
LogP5.22
Rot. Bonds1

About 1-chloro-6-(3-chloro-4-hydroxyphenyl)naphthalen-2-ol

1-chloro-6-(3-chloro-4-hydroxyphenyl)naphthalen-2-ol (PubChem CID 10125582) has the molecular formula C16H10Cl2O2 and a molecular weight of 305.16 g/mol. Its IUPAC name is 1-chloro-6-(3-chloro-4-hydroxyphenyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-chloro-6-(3-chloro-4-hydroxyphenyl)naphthalen-2-ol
PubChem CID10125582
Molecular FormulaC16H10Cl2O2
Molecular Weight305.16 g/mol
Exact Mass304.01
IUPAC Name1-chloro-6-(3-chloro-4-hydroxyphenyl)naphthalen-2-ol
SMILESOc1ccc(-c2ccc3c(Cl)c(O)ccc3c2)cc1Cl
InChIInChI=1S/C16H10Cl2O2/c17-13-8-10(2-5-14(13)19)9-1-4-12-11(7-9)3-6-15(20)16(12)18/h1-8,19-20H
InChIKeyFWRUMAVROMTQMY-UHFFFAOYSA-N
XLogP5.22
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.16
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-6-(3-chloro-4-hydroxyphenyl)naphthalen-2-ol?
The IUPAC name of 1-chloro-6-(3-chloro-4-hydroxyphenyl)naphthalen-2-ol (CID 10125582) is 1-chloro-6-(3-chloro-4-hydroxyphenyl)naphthalen-2-ol.
What is the SMILES notation for 1-chloro-6-(3-chloro-4-hydroxyphenyl)naphthalen-2-ol?
The canonical SMILES for 1-chloro-6-(3-chloro-4-hydroxyphenyl)naphthalen-2-ol is Oc1ccc(-c2ccc3c(Cl)c(O)ccc3c2)cc1Cl.
What is the InChIKey of 1-chloro-6-(3-chloro-4-hydroxyphenyl)naphthalen-2-ol?
The InChIKey is FWRUMAVROMTQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2O2/c17-13-8-10(2-5-14(13)19)9-1-4-12-11(7-9)3-6-15(20)16(12)18/h1-8,19-20H.
What are the key properties of 1-chloro-6-(3-chloro-4-hydroxyphenyl)naphthalen-2-ol?
1-chloro-6-(3-chloro-4-hydroxyphenyl)naphthalen-2-ol has a molecular weight of 305.16 g/mol, XLogP of 5.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-6-(3-chloro-4-hydroxyphenyl)naphthalen-2-ol is sourced from PubChem (CID 10125582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).