1-methoxy-4-[4-(1-methoxyethyl)phenyl]benzene

C16H18O2 — CID 139694053

IUPAC1-methoxy-4-[4-(1-methoxyethyl)phenyl]benzene
SMILESCOc1ccc(-c2ccc(C(C)OC)cc2)cc1
InChIInChI=1S/C16H18O2/c1-12(17-2)13-4-6-14(7-5-13)15-8-10-16(18-3)11-9-15/h4-12H,1-3H3
InChIKeyGNGKVAYXVWGBFR-UHFFFAOYSA-N
MW242.32 g/mol
LogP4.07
Rot. Bonds4

About 1-methoxy-4-[4-(1-methoxyethyl)phenyl]benzene

1-methoxy-4-[4-(1-methoxyethyl)phenyl]benzene (PubChem CID 139694053) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-methoxy-4-[4-(1-methoxyethyl)phenyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[4-(1-methoxyethyl)phenyl]benzene
PubChem CID139694053
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name1-methoxy-4-[4-(1-methoxyethyl)phenyl]benzene
SMILESCOc1ccc(-c2ccc(C(C)OC)cc2)cc1
InChIInChI=1S/C16H18O2/c1-12(17-2)13-4-6-14(7-5-13)15-8-10-16(18-3)11-9-15/h4-12H,1-3H3
InChIKeyGNGKVAYXVWGBFR-UHFFFAOYSA-N
XLogP4.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-methoxyphenyl)phenyl]ethyl acetate
CID 14297718
1-[bis(4-methoxyphenyl)methyl]-4-phenylbenzene
CID 134976312
O-[1-(4-methoxyphenyl)ethyl]hydroxylamine
CID 55269080
1-(1,1-dimethoxypropan-2-yl)-4-methoxybenzene
CID 13482611
2-[4-(1-methoxyethyl)phenyl]-4,5,6-trimethylpyrimidine
CID 162636219
4-[(1R)-1-methoxyethyl]benzenethiol
CID 124500513
1-(1-chloro-2-methylpropyl)-4-methoxybenzene
CID 61081165
1-ethoxy-4-[2-[4-(1-methoxyethyl)phenyl]phenyl]benzene
CID 139694148
carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium
CID 157263215
1-bromo-4-[(1S)-1-methoxyethyl]benzene
CID 51534481
1-[4-(4-methoxyphenyl)phenoxy]ethanol
CID 19939691
[4-(4-methoxyphenyl)phenyl]-phenylmethanol
CID 141264274

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[4-(1-methoxyethyl)phenyl]benzene?
The IUPAC name of 1-methoxy-4-[4-(1-methoxyethyl)phenyl]benzene (CID 139694053) is 1-methoxy-4-[4-(1-methoxyethyl)phenyl]benzene.
What is the SMILES notation for 1-methoxy-4-[4-(1-methoxyethyl)phenyl]benzene?
The canonical SMILES for 1-methoxy-4-[4-(1-methoxyethyl)phenyl]benzene is COc1ccc(-c2ccc(C(C)OC)cc2)cc1.
What is the InChIKey of 1-methoxy-4-[4-(1-methoxyethyl)phenyl]benzene?
The InChIKey is GNGKVAYXVWGBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-12(17-2)13-4-6-14(7-5-13)15-8-10-16(18-3)11-9-15/h4-12H,1-3H3.
What are the key properties of 1-methoxy-4-[4-(1-methoxyethyl)phenyl]benzene?
1-methoxy-4-[4-(1-methoxyethyl)phenyl]benzene has a molecular weight of 242.32 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[4-(1-methoxyethyl)phenyl]benzene is sourced from PubChem (CID 139694053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).