7-chloro-8-(cyclopropylmethoxy)-4-methyl-3,4-dihydro-2H-chromene

C14H17ClO2 — CID 142361592

IUPAC7-chloro-8-(cyclopropylmethoxy)-4-methyl-3,4-dihydro-2H-chromene
SMILESCC1CCOc2c1ccc(Cl)c2OCC1CC1
InChIInChI=1S/C14H17ClO2/c1-9-6-7-16-13-11(9)4-5-12(15)14(13)17-8-10-2-3-10/h4-5,9-10H,2-3,6-8H2,1H3
InChIKeyPOVMJPFKSWGIMW-UHFFFAOYSA-N
MW252.74 g/mol
LogP4.01
Rot. Bonds3

About 7-chloro-8-(cyclopropylmethoxy)-4-methyl-3,4-dihydro-2H-chromene

7-chloro-8-(cyclopropylmethoxy)-4-methyl-3,4-dihydro-2H-chromene (PubChem CID 142361592) has the molecular formula C14H17ClO2 and a molecular weight of 252.74 g/mol. Its IUPAC name is 7-chloro-8-(cyclopropylmethoxy)-4-methyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name7-chloro-8-(cyclopropylmethoxy)-4-methyl-3,4-dihydro-2H-chromene
PubChem CID142361592
Molecular FormulaC14H17ClO2
Molecular Weight252.74 g/mol
Exact Mass252.09
IUPAC Name7-chloro-8-(cyclopropylmethoxy)-4-methyl-3,4-dihydro-2H-chromene
SMILESCC1CCOc2c1ccc(Cl)c2OCC1CC1
InChIInChI=1S/C14H17ClO2/c1-9-6-7-16-13-11(9)4-5-12(15)14(13)17-8-10-2-3-10/h4-5,9-10H,2-3,6-8H2,1H3
InChIKeyPOVMJPFKSWGIMW-UHFFFAOYSA-N
XLogP4.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-5-chloro-4-(cyclopropylmethoxy)-1-methyl-2,3-dihydro-1H-indene
CID 134559100
(4S)-7-chloro-8-(cyclopropylmethoxy)-4-ethyl-4-propan-2-yl-2,3-dihydrochromene
CID 146228241
N-[7-chloro-8-(cyclopropylmethoxy)-3,4-dihydro-2H-chromen-4-yl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 134553813
(5S)-5-tert-butyl-2-chloro-1-(cyclopropylmethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 155369953
(4S)-8-fluoro-4-methyl-3,4-dihydro-2H-chromene
CID 89270556
6-chloro-5-(oxiran-2-ylmethoxy)-2,3-dihydro-1,4-benzodioxine
CID 12578815
1-[3-chloro-2-(cyclopropylmethoxy)phenyl]ethanone
CID 84689440
4-chloro-3-methyl-2-(oxan-4-ylmethoxy)aniline
CID 112740954
2-[3-chloro-2-(cyclopropylmethoxy)phenyl]propanoic acid
CID 117390072
3-[3-chloro-2-(cyclopropylmethoxy)phenyl]butan-1-amine
CID 117387783
2-[3-chloro-2-(cyclopropylmethoxy)phenyl]piperidine
CID 117418878
[5-[3-chloro-2-(cyclopropylmethoxy)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117475479

Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-(cyclopropylmethoxy)-4-methyl-3,4-dihydro-2H-chromene?
The IUPAC name of 7-chloro-8-(cyclopropylmethoxy)-4-methyl-3,4-dihydro-2H-chromene (CID 142361592) is 7-chloro-8-(cyclopropylmethoxy)-4-methyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 7-chloro-8-(cyclopropylmethoxy)-4-methyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 7-chloro-8-(cyclopropylmethoxy)-4-methyl-3,4-dihydro-2H-chromene is CC1CCOc2c1ccc(Cl)c2OCC1CC1.
What is the InChIKey of 7-chloro-8-(cyclopropylmethoxy)-4-methyl-3,4-dihydro-2H-chromene?
The InChIKey is POVMJPFKSWGIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO2/c1-9-6-7-16-13-11(9)4-5-12(15)14(13)17-8-10-2-3-10/h4-5,9-10H,2-3,6-8H2,1H3.
What are the key properties of 7-chloro-8-(cyclopropylmethoxy)-4-methyl-3,4-dihydro-2H-chromene?
7-chloro-8-(cyclopropylmethoxy)-4-methyl-3,4-dihydro-2H-chromene has a molecular weight of 252.74 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-(cyclopropylmethoxy)-4-methyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 142361592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).