4-chloro-2-[(E)-hept-3-en-4-yl]-1-methoxybenzene

C14H19ClO — CID 70323367

IUPAC4-chloro-2-[(E)-hept-3-en-4-yl]-1-methoxybenzene
SMILESCC/C=C(\CCC)c1cc(Cl)ccc1OC
InChIInChI=1S/C14H19ClO/c1-4-6-11(7-5-2)13-10-12(15)8-9-14(13)16-3/h6,8-10H,4-5,7H2,1-3H3/b11-6+
InChIKeyZBLHXMKKEQADRV-IZZDOVSWSA-N
MW238.76 g/mol
LogP4.94
Rot. Bonds5

About 4-chloro-2-[(E)-hept-3-en-4-yl]-1-methoxybenzene

4-chloro-2-[(E)-hept-3-en-4-yl]-1-methoxybenzene (PubChem CID 70323367) has the molecular formula C14H19ClO and a molecular weight of 238.76 g/mol. Its IUPAC name is 4-chloro-2-[(E)-hept-3-en-4-yl]-1-methoxybenzene.

Molecular Properties

Compound Name4-chloro-2-[(E)-hept-3-en-4-yl]-1-methoxybenzene
PubChem CID70323367
Molecular FormulaC14H19ClO
Molecular Weight238.76 g/mol
Exact Mass238.11
IUPAC Name4-chloro-2-[(E)-hept-3-en-4-yl]-1-methoxybenzene
SMILESCC/C=C(\CCC)c1cc(Cl)ccc1OC
InChIInChI=1S/C14H19ClO/c1-4-6-11(7-5-2)13-10-12(15)8-9-14(13)16-3/h6,8-10H,4-5,7H2,1-3H3/b11-6+
InChIKeyZBLHXMKKEQADRV-IZZDOVSWSA-N
XLogP4.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-2-methoxyphenyl)hexan-1-one
CID 57310982
2-[chloro-(5-chloro-2-methoxyphenyl)methylidene]pentanenitrile
CID 79405531
1-(5-chloro-2-methoxyphenyl)octan-1-one
CID 112698728
1-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]butan-1-one
CID 110799983
5-chloro-2-methoxybenzoate
CID 6933314
4-chloro-2-[2,2-dichloro-1-(5-chloro-2-methoxyphenyl)ethenyl]-1-methoxybenzene
CID 3015769
4-chloro-1-methoxy-2-prop-1-en-2-ylbenzene;ethane
CID 143014444
(5-chloro-2-methoxyphenyl)-(3-ethyl-1,4-dithian-2-yl)methanone
CID 115386042
(E)-4-(5-chloro-2-methoxy-4-methylphenyl)hept-3-enoic acid
CID 83958588
(5-chloro-2-methoxyphenyl)-(4-propylphenyl)methanone
CID 43338022
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
1-(5-chloro-2-methoxyphenyl)-4-methylpentan-1-one
CID 62791296

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(E)-hept-3-en-4-yl]-1-methoxybenzene?
The IUPAC name of 4-chloro-2-[(E)-hept-3-en-4-yl]-1-methoxybenzene (CID 70323367) is 4-chloro-2-[(E)-hept-3-en-4-yl]-1-methoxybenzene.
What is the SMILES notation for 4-chloro-2-[(E)-hept-3-en-4-yl]-1-methoxybenzene?
The canonical SMILES for 4-chloro-2-[(E)-hept-3-en-4-yl]-1-methoxybenzene is CC/C=C(\CCC)c1cc(Cl)ccc1OC.
What is the InChIKey of 4-chloro-2-[(E)-hept-3-en-4-yl]-1-methoxybenzene?
The InChIKey is ZBLHXMKKEQADRV-IZZDOVSWSA-N. The full InChI is InChI=1S/C14H19ClO/c1-4-6-11(7-5-2)13-10-12(15)8-9-14(13)16-3/h6,8-10H,4-5,7H2,1-3H3/b11-6+.
What are the key properties of 4-chloro-2-[(E)-hept-3-en-4-yl]-1-methoxybenzene?
4-chloro-2-[(E)-hept-3-en-4-yl]-1-methoxybenzene has a molecular weight of 238.76 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(E)-hept-3-en-4-yl]-1-methoxybenzene is sourced from PubChem (CID 70323367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).