(1S)-5-chloro-4-(cyclopropylmethoxy)-1-methyl-2,3-dihydro-1H-indene

C14H17ClO — CID 134559100

IUPAC(1S)-5-chloro-4-(cyclopropylmethoxy)-1-methyl-2,3-dihydro-1H-indene
SMILESC[C@H]1CCc2c1ccc(Cl)c2OCC1CC1
InChIInChI=1S/C14H17ClO/c1-9-2-5-12-11(9)6-7-13(15)14(12)16-8-10-3-4-10/h6-7,9-10H,2-5,8H2,1H3/t9-/m0/s1
InChIKeyMTPUTOFJXFTRNZ-VIFPVBQESA-N
MW236.74 g/mol
LogP4.18
Rot. Bonds3

About (1S)-5-chloro-4-(cyclopropylmethoxy)-1-methyl-2,3-dihydro-1H-indene

(1S)-5-chloro-4-(cyclopropylmethoxy)-1-methyl-2,3-dihydro-1H-indene (PubChem CID 134559100) has the molecular formula C14H17ClO and a molecular weight of 236.74 g/mol. Its IUPAC name is (1S)-5-chloro-4-(cyclopropylmethoxy)-1-methyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name(1S)-5-chloro-4-(cyclopropylmethoxy)-1-methyl-2,3-dihydro-1H-indene
PubChem CID134559100
Molecular FormulaC14H17ClO
Molecular Weight236.74 g/mol
Exact Mass236.10
IUPAC Name(1S)-5-chloro-4-(cyclopropylmethoxy)-1-methyl-2,3-dihydro-1H-indene
SMILESC[C@H]1CCc2c1ccc(Cl)c2OCC1CC1
InChIInChI=1S/C14H17ClO/c1-9-2-5-12-11(9)6-7-13(15)14(12)16-8-10-3-4-10/h6-7,9-10H,2-5,8H2,1H3/t9-/m0/s1
InChIKeyMTPUTOFJXFTRNZ-VIFPVBQESA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.74
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-chloro-8-(cyclopropylmethoxy)-4-methyl-3,4-dihydro-2H-chromene
CID 142361592
(5S)-5-tert-butyl-2-chloro-1-(cyclopropylmethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 155369953
1-[3-chloro-2-(cyclopropylmethoxy)phenyl]ethanone
CID 84689440
[5-[3-chloro-2-(cyclopropylmethoxy)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117475479
6-chloro-5-(2-cyclopropylethyl)-1-methyl-1,2,3,4-tetrahydronaphthalene;ethane
CID 142360610
3-[3-chloro-2-(cyclopropylmethoxy)phenyl]butan-1-amine
CID 117387783
2-[3-chloro-2-(cyclopropylmethoxy)phenyl]piperidine
CID 117418878
2-[3-chloro-2-(cyclopropylmethoxy)phenyl]propanoic acid
CID 117390072
1-[3-chloro-4-(cyclopropylmethoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]butan-2-amine;hydrochloride
CID 170890029
2-[[3-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperidine
CID 117449038
1-[1-[3-chloro-2-(cyclopropylmethoxy)phenyl]cyclopropyl]ethanamine
CID 117418708
1-(bromomethyl)-3-chloro-2-(cyclopentylmethoxy)benzene
CID 112613746

Frequently Asked Questions

What is the IUPAC name of (1S)-5-chloro-4-(cyclopropylmethoxy)-1-methyl-2,3-dihydro-1H-indene?
The IUPAC name of (1S)-5-chloro-4-(cyclopropylmethoxy)-1-methyl-2,3-dihydro-1H-indene (CID 134559100) is (1S)-5-chloro-4-(cyclopropylmethoxy)-1-methyl-2,3-dihydro-1H-indene.
What is the SMILES notation for (1S)-5-chloro-4-(cyclopropylmethoxy)-1-methyl-2,3-dihydro-1H-indene?
The canonical SMILES for (1S)-5-chloro-4-(cyclopropylmethoxy)-1-methyl-2,3-dihydro-1H-indene is C[C@H]1CCc2c1ccc(Cl)c2OCC1CC1.
What is the InChIKey of (1S)-5-chloro-4-(cyclopropylmethoxy)-1-methyl-2,3-dihydro-1H-indene?
The InChIKey is MTPUTOFJXFTRNZ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17ClO/c1-9-2-5-12-11(9)6-7-13(15)14(12)16-8-10-3-4-10/h6-7,9-10H,2-5,8H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-5-chloro-4-(cyclopropylmethoxy)-1-methyl-2,3-dihydro-1H-indene?
(1S)-5-chloro-4-(cyclopropylmethoxy)-1-methyl-2,3-dihydro-1H-indene has a molecular weight of 236.74 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-chloro-4-(cyclopropylmethoxy)-1-methyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 134559100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).