3-(7-chloro-2-methylindeno[1,2-c]chromen-11-yl)propan-1-ol

C20H17ClO2 — CID 132502541

IUPAC3-(7-chloro-2-methylindeno[1,2-c]chromen-11-yl)propan-1-ol
SMILESCc1ccc2occ3c4c(Cl)cccc4c(CCCO)c-3c2c1
InChIInChI=1S/C20H17ClO2/c1-12-7-8-18-15(10-12)19-13(5-3-9-22)14-4-2-6-17(21)20(14)16(19)11-23-18/h2,4,6-8,10-11,22H,3,5,9H2,1H3
InChIKeyYILXVHYJQRTJQU-UHFFFAOYSA-N
MW324.81 g/mol
LogP5.58
Rot. Bonds3

About 3-(7-chloro-2-methylindeno[1,2-c]chromen-11-yl)propan-1-ol

3-(7-chloro-2-methylindeno[1,2-c]chromen-11-yl)propan-1-ol (PubChem CID 132502541) has the molecular formula C20H17ClO2 and a molecular weight of 324.81 g/mol. Its IUPAC name is 3-(7-chloro-2-methylindeno[1,2-c]chromen-11-yl)propan-1-ol.

Molecular Properties

Compound Name3-(7-chloro-2-methylindeno[1,2-c]chromen-11-yl)propan-1-ol
PubChem CID132502541
Molecular FormulaC20H17ClO2
Molecular Weight324.81 g/mol
Exact Mass324.09
IUPAC Name3-(7-chloro-2-methylindeno[1,2-c]chromen-11-yl)propan-1-ol
SMILESCc1ccc2occ3c4c(Cl)cccc4c(CCCO)c-3c2c1
InChIInChI=1S/C20H17ClO2/c1-12-7-8-18-15(10-12)19-13(5-3-9-22)14-4-2-6-17(21)20(14)16(19)11-23-18/h2,4,6-8,10-11,22H,3,5,9H2,1H3
InChIKeyYILXVHYJQRTJQU-UHFFFAOYSA-N
XLogP5.58
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.81
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 10780577
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4-methyl-2-(5-methyl-1-benzofuran-3-yl)phenol
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2-chloro-N'-[2-(5-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 18872413
3-(1-benzofuran-3-yl)propan-1-ol;4-methylbenzenesulfonic acid
CID 86752737
6-methyl-4-oxochromene-3-carbonyl chloride
CID 139222977
(6-methyl-1-benzofuran-3-yl)methanol
CID 11084186
N-(1-benzofuran-3-ylmethyl)-2-chloro-5-methylaniline
CID 107630587
3-(4-chloro-6-methylquinazolin-2-yl)propan-1-ol
CID 105498483
3-(2-chloro-6-phenylphenyl)propan-1-ol;methanesulfonic acid
CID 71430717
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CID 84636463

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-2-methylindeno[1,2-c]chromen-11-yl)propan-1-ol?
The IUPAC name of 3-(7-chloro-2-methylindeno[1,2-c]chromen-11-yl)propan-1-ol (CID 132502541) is 3-(7-chloro-2-methylindeno[1,2-c]chromen-11-yl)propan-1-ol.
What is the SMILES notation for 3-(7-chloro-2-methylindeno[1,2-c]chromen-11-yl)propan-1-ol?
The canonical SMILES for 3-(7-chloro-2-methylindeno[1,2-c]chromen-11-yl)propan-1-ol is Cc1ccc2occ3c4c(Cl)cccc4c(CCCO)c-3c2c1.
What is the InChIKey of 3-(7-chloro-2-methylindeno[1,2-c]chromen-11-yl)propan-1-ol?
The InChIKey is YILXVHYJQRTJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClO2/c1-12-7-8-18-15(10-12)19-13(5-3-9-22)14-4-2-6-17(21)20(14)16(19)11-23-18/h2,4,6-8,10-11,22H,3,5,9H2,1H3.
What are the key properties of 3-(7-chloro-2-methylindeno[1,2-c]chromen-11-yl)propan-1-ol?
3-(7-chloro-2-methylindeno[1,2-c]chromen-11-yl)propan-1-ol has a molecular weight of 324.81 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-2-methylindeno[1,2-c]chromen-11-yl)propan-1-ol is sourced from PubChem (CID 132502541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).