6-(1-chloro-4-methylpentyl)-3,4-dihydro-2H-chromene

C15H21ClO — CID 55199306

IUPAC6-(1-chloro-4-methylpentyl)-3,4-dihydro-2H-chromene
SMILESCC(C)CCC(Cl)c1ccc2c(c1)CCCO2
InChIInChI=1S/C15H21ClO/c1-11(2)5-7-14(16)12-6-8-15-13(10-12)4-3-9-17-15/h6,8,10-11,14H,3-5,7,9H2,1-2H3
InChIKeyPLUUYVLBEQJQND-UHFFFAOYSA-N
MW252.78 g/mol
LogP4.73
Rot. Bonds4

About 6-(1-chloro-4-methylpentyl)-3,4-dihydro-2H-chromene

6-(1-chloro-4-methylpentyl)-3,4-dihydro-2H-chromene (PubChem CID 55199306) has the molecular formula C15H21ClO and a molecular weight of 252.78 g/mol. Its IUPAC name is 6-(1-chloro-4-methylpentyl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-(1-chloro-4-methylpentyl)-3,4-dihydro-2H-chromene
PubChem CID55199306
Molecular FormulaC15H21ClO
Molecular Weight252.78 g/mol
Exact Mass252.13
IUPAC Name6-(1-chloro-4-methylpentyl)-3,4-dihydro-2H-chromene
SMILESCC(C)CCC(Cl)c1ccc2c(c1)CCCO2
InChIInChI=1S/C15H21ClO/c1-11(2)5-7-14(16)12-6-8-15-13(10-12)4-3-9-17-15/h6,8,10-11,14H,3-5,7,9H2,1-2H3
InChIKeyPLUUYVLBEQJQND-UHFFFAOYSA-N
XLogP4.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.78
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(1-chloropentyl)-2,3-dihydro-1-benzofuran
CID 61086357
6-(1-chloro-2-cycloheptylethyl)-3,4-dihydro-2H-chromene
CID 114458684
6-[chloro-(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63434966
2-(3,4-dihydro-2H-chromen-6-yl)propanethial
CID 123536385
1,3-diamino-1-(3,4-dihydro-2H-chromen-6-yl)propan-2-ol
CID 116942558
6-[2-(3-bromophenyl)-1-chloroethyl]-3,4-dihydro-2H-chromene
CID 63435145
3,4-dihydro-2H-chromen-6-yl-(4-propan-2-ylphenyl)methanol
CID 61083091
1-(3,4-dihydro-2H-chromen-6-yl)-N,N'-dimethylpropane-1,3-diamine
CID 116948587
6-[chloro-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene
CID 61085686
methyl 2-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutanoate
CID 116964483
6-[chloro-(2,4,6-trimethylphenyl)methyl]-3,4-dihydro-2H-chromene
CID 63435187
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-4-methylpentan-1-amine
CID 43489857

Frequently Asked Questions

What is the IUPAC name of 6-(1-chloro-4-methylpentyl)-3,4-dihydro-2H-chromene?
The IUPAC name of 6-(1-chloro-4-methylpentyl)-3,4-dihydro-2H-chromene (CID 55199306) is 6-(1-chloro-4-methylpentyl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-(1-chloro-4-methylpentyl)-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-(1-chloro-4-methylpentyl)-3,4-dihydro-2H-chromene is CC(C)CCC(Cl)c1ccc2c(c1)CCCO2.
What is the InChIKey of 6-(1-chloro-4-methylpentyl)-3,4-dihydro-2H-chromene?
The InChIKey is PLUUYVLBEQJQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO/c1-11(2)5-7-14(16)12-6-8-15-13(10-12)4-3-9-17-15/h6,8,10-11,14H,3-5,7,9H2,1-2H3.
What are the key properties of 6-(1-chloro-4-methylpentyl)-3,4-dihydro-2H-chromene?
6-(1-chloro-4-methylpentyl)-3,4-dihydro-2H-chromene has a molecular weight of 252.78 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-chloro-4-methylpentyl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 55199306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).