1-(2-heptoxyethyl)-4-methoxybenzene

C16H26O2 — CID 54035904

IUPAC1-(2-heptoxyethyl)-4-methoxybenzene
SMILESCCCCCCCOCCc1ccc(OC)cc1
InChIInChI=1S/C16H26O2/c1-3-4-5-6-7-13-18-14-12-15-8-10-16(17-2)11-9-15/h8-11H,3-7,12-14H2,1-2H3
InChIKeyLFORKFXIODNALQ-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.22
Rot. Bonds10

About 1-(2-heptoxyethyl)-4-methoxybenzene

1-(2-heptoxyethyl)-4-methoxybenzene (PubChem CID 54035904) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-(2-heptoxyethyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(2-heptoxyethyl)-4-methoxybenzene
PubChem CID54035904
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name1-(2-heptoxyethyl)-4-methoxybenzene
SMILESCCCCCCCOCCc1ccc(OC)cc1
InChIInChI=1S/C16H26O2/c1-3-4-5-6-7-13-18-14-12-15-8-10-16(17-2)11-9-15/h8-11H,3-7,12-14H2,1-2H3
InChIKeyLFORKFXIODNALQ-UHFFFAOYSA-N
XLogP4.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-(5-pentoxypentyl)benzene
CID 54554044
1-methoxy-4-(octoxymethyl)benzene
CID 11288168
1-[2-(2-hexoxyethoxy)ethoxy]-4-methoxybenzene
CID 58828240
4-(2-pentoxyethyl)phenol
CID 67806399
1-(4-ethoxybutyl)-4-methoxybenzene
CID 54183977
2-pentoxyethylbenzene
CID 3022447
1-(2-icosoxyethoxy)-4-nonylbenzene
CID 175309903
1-methoxy-4-tetradecoxybenzene
CID 91712423
1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-bis[4-(4-methoxyphenyl)phenyl]benzene
CID 145196769
1-[(E)-dec-3-enyl]-4-methoxybenzene
CID 11299600
N-[2-(4-methoxyphenyl)ethyl]heptan-1-amine
CID 43089137
6-[3-(4-hexoxyphenyl)propoxy]hexan-1-amine
CID 158087179

Frequently Asked Questions

What is the IUPAC name of 1-(2-heptoxyethyl)-4-methoxybenzene?
The IUPAC name of 1-(2-heptoxyethyl)-4-methoxybenzene (CID 54035904) is 1-(2-heptoxyethyl)-4-methoxybenzene.
What is the SMILES notation for 1-(2-heptoxyethyl)-4-methoxybenzene?
The canonical SMILES for 1-(2-heptoxyethyl)-4-methoxybenzene is CCCCCCCOCCc1ccc(OC)cc1.
What is the InChIKey of 1-(2-heptoxyethyl)-4-methoxybenzene?
The InChIKey is LFORKFXIODNALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-3-4-5-6-7-13-18-14-12-15-8-10-16(17-2)11-9-15/h8-11H,3-7,12-14H2,1-2H3.
What are the key properties of 1-(2-heptoxyethyl)-4-methoxybenzene?
1-(2-heptoxyethyl)-4-methoxybenzene has a molecular weight of 250.38 g/mol, XLogP of 4.22, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-heptoxyethyl)-4-methoxybenzene is sourced from PubChem (CID 54035904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).