3-[2-chloro-5-[2-[4-chloro-5-(3-hydroxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propan-1-ol

C19H26Cl2O2 — CID 87995314

IUPAC3-[2-chloro-5-[2-[4-chloro-5-(3-hydroxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propan-1-ol
SMILESCC(C)(C1=CCC(Cl)=C1CCCO)C1=CCC(Cl)=C1CCCO
InChIInChI=1S/C19H26Cl2O2/c1-19(2,15-7-9-17(20)13(15)5-3-11-22)16-8-10-18(21)14(16)6-4-12-23/h7-8,22-23H,3-6,9-12H2,1-2H3
InChIKeyKLIANGVNXFFNHK-UHFFFAOYSA-N
MW357.32 g/mol
LogP5.20
Rot. Bonds8

About 3-[2-chloro-5-[2-[4-chloro-5-(3-hydroxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propan-1-ol

3-[2-chloro-5-[2-[4-chloro-5-(3-hydroxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propan-1-ol (PubChem CID 87995314) has the molecular formula C19H26Cl2O2 and a molecular weight of 357.32 g/mol. Its IUPAC name is 3-[2-chloro-5-[2-[4-chloro-5-(3-hydroxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-chloro-5-[2-[4-chloro-5-(3-hydroxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propan-1-ol
PubChem CID87995314
Molecular FormulaC19H26Cl2O2
Molecular Weight357.32 g/mol
Exact Mass356.13
IUPAC Name3-[2-chloro-5-[2-[4-chloro-5-(3-hydroxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propan-1-ol
SMILESCC(C)(C1=CCC(Cl)=C1CCCO)C1=CCC(Cl)=C1CCCO
InChIInChI=1S/C19H26Cl2O2/c1-19(2,15-7-9-17(20)13(15)5-3-11-22)16-8-10-18(21)14(16)6-4-12-23/h7-8,22-23H,3-6,9-12H2,1-2H3
InChIKeyKLIANGVNXFFNHK-UHFFFAOYSA-N
XLogP5.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.32
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[2-chloro-5-[2-[4-chloro-5-(3-hydroxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-5-[2-[4-chloro-5-(3-hydroxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propan-1-ol?
The IUPAC name of 3-[2-chloro-5-[2-[4-chloro-5-(3-hydroxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propan-1-ol (CID 87995314) is 3-[2-chloro-5-[2-[4-chloro-5-(3-hydroxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propan-1-ol.
What is the SMILES notation for 3-[2-chloro-5-[2-[4-chloro-5-(3-hydroxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propan-1-ol?
The canonical SMILES for 3-[2-chloro-5-[2-[4-chloro-5-(3-hydroxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propan-1-ol is CC(C)(C1=CCC(Cl)=C1CCCO)C1=CCC(Cl)=C1CCCO.
What is the InChIKey of 3-[2-chloro-5-[2-[4-chloro-5-(3-hydroxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propan-1-ol?
The InChIKey is KLIANGVNXFFNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26Cl2O2/c1-19(2,15-7-9-17(20)13(15)5-3-11-22)16-8-10-18(21)14(16)6-4-12-23/h7-8,22-23H,3-6,9-12H2,1-2H3.
What are the key properties of 3-[2-chloro-5-[2-[4-chloro-5-(3-hydroxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propan-1-ol?
3-[2-chloro-5-[2-[4-chloro-5-(3-hydroxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propan-1-ol has a molecular weight of 357.32 g/mol, XLogP of 5.20, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-5-[2-[4-chloro-5-(3-hydroxypropyl)cyclopenta-1,4-dien-1-yl]propan-2-yl]cyclopenta-1,4-dien-1-yl]propan-1-ol is sourced from PubChem (CID 87995314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).