2-chloro-1-propoxy-4-propylbenzene;ethane

C14H23ClO — CID 143012036

IUPAC2-chloro-1-propoxy-4-propylbenzene;ethane
SMILESCC.CCCOc1ccc(CCC)cc1Cl
InChIInChI=1S/C12H17ClO.C2H6/c1-3-5-10-6-7-12(11(13)9-10)14-8-4-2;1-2/h6-7,9H,3-5,8H2,1-2H3;1-2H3
InChIKeyLFSMTGHCSIGJOW-UHFFFAOYSA-N
MW242.79 g/mol
LogP5.11
Rot. Bonds5

About 2-chloro-1-propoxy-4-propylbenzene;ethane

2-chloro-1-propoxy-4-propylbenzene;ethane (PubChem CID 143012036) has the molecular formula C14H23ClO and a molecular weight of 242.79 g/mol. Its IUPAC name is 2-chloro-1-propoxy-4-propylbenzene;ethane.

Molecular Properties

Compound Name2-chloro-1-propoxy-4-propylbenzene;ethane
PubChem CID143012036
Molecular FormulaC14H23ClO
Molecular Weight242.79 g/mol
Exact Mass242.14
IUPAC Name2-chloro-1-propoxy-4-propylbenzene;ethane
SMILESCC.CCCOc1ccc(CCC)cc1Cl
InChIInChI=1S/C12H17ClO.C2H6/c1-3-5-10-6-7-12(11(13)9-10)14-8-4-2;1-2/h6-7,9H,3-5,8H2,1-2H3;1-2H3
InChIKeyLFSMTGHCSIGJOW-UHFFFAOYSA-N
XLogP5.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.79
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-chloro-4-propoxyphenyl)butan-2-amine
CID 83952879
1-(3-chloro-4-propoxyphenyl)-N-methylmethanamine;hydrochloride
CID 132843394
2-(3-chloro-4-nonoxyphenyl)ethanamine
CID 63421979
1-(3-chloro-4-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890189
2-[3-chloro-4-(2-propoxyphenoxy)phenyl]ethanamine
CID 81159937
CID 174570347
CID 174570347
2-[2-chloro-4-(propoxymethyl)phenoxy]ethanamine
CID 18956682
4-(3-chloro-4-nonoxyphenyl)butan-2-amine
CID 83951315
N'-[(3-chloro-4-propoxyphenyl)methyl]-N-methylpropane-1,3-diamine
CID 29241360
(3-chloro-4-nonoxyphenyl)methanamine
CID 63404558
O-[(4-butoxy-3-chlorophenyl)methyl]hydroxylamine
CID 13380966
(3-chloro-4-nonoxyphenyl)methanol
CID 63533386

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-propoxy-4-propylbenzene;ethane?
The IUPAC name of 2-chloro-1-propoxy-4-propylbenzene;ethane (CID 143012036) is 2-chloro-1-propoxy-4-propylbenzene;ethane.
What is the SMILES notation for 2-chloro-1-propoxy-4-propylbenzene;ethane?
The canonical SMILES for 2-chloro-1-propoxy-4-propylbenzene;ethane is CC.CCCOc1ccc(CCC)cc1Cl.
What is the InChIKey of 2-chloro-1-propoxy-4-propylbenzene;ethane?
The InChIKey is LFSMTGHCSIGJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO.C2H6/c1-3-5-10-6-7-12(11(13)9-10)14-8-4-2;1-2/h6-7,9H,3-5,8H2,1-2H3;1-2H3.
What are the key properties of 2-chloro-1-propoxy-4-propylbenzene;ethane?
2-chloro-1-propoxy-4-propylbenzene;ethane has a molecular weight of 242.79 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-propoxy-4-propylbenzene;ethane is sourced from PubChem (CID 143012036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).