1-methoxy-4-[(2R)-2-methoxypropyl]benzene

C11H16O2 — CID 138984863

IUPAC1-methoxy-4-[(2R)-2-methoxypropyl]benzene
SMILESCOc1ccc(C[C@@H](C)OC)cc1
InChIInChI=1S/C11H16O2/c1-9(12-2)8-10-4-6-11(13-3)7-5-10/h4-7,9H,8H2,1-3H3/t9-/m1/s1
InChIKeyYHQFKQWLXKHBRM-SECBINFHSA-N
MW180.25 g/mol
LogP2.27
Rot. Bonds4

About 1-methoxy-4-[(2R)-2-methoxypropyl]benzene

1-methoxy-4-[(2R)-2-methoxypropyl]benzene (PubChem CID 138984863) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-methoxy-4-[(2R)-2-methoxypropyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(2R)-2-methoxypropyl]benzene
PubChem CID138984863
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1-methoxy-4-[(2R)-2-methoxypropyl]benzene
SMILESCOc1ccc(C[C@@H](C)OC)cc1
InChIInChI=1S/C11H16O2/c1-9(12-2)8-10-4-6-11(13-3)7-5-10/h4-7,9H,8H2,1-3H3/t9-/m1/s1
InChIKeyYHQFKQWLXKHBRM-SECBINFHSA-N
XLogP2.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)propane-2-thiol
CID 63272833
1-(4-methoxyphenyl)-N-(2-methoxypropyl)propan-2-amine
CID 102696593
1-methoxy-4-[2-(3-methylbutoxy)propyl]benzene
CID 86103111
1-(4-methoxyphenyl)propan-2-yl acetate
CID 12523796
1-(2-methoxypropyl)-4-(4-methylphenyl)benzene
CID 145316433
1-methoxy-3-(2-methoxypropyl)benzene
CID 56987806
3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 10535804
1-methoxy-4-[(2R)-2-phenylpropyl]benzene
CID 69111235
1-(3-iodo-2-methoxypropyl)-4-methoxybenzene
CID 131862517
2-[(4-methoxyphenyl)methyl]-3-methylbutanoic acid
CID 69402022
1-[2-bromo-2-(4-methoxyphenyl)ethyl]-4-methylbenzene
CID 63437164
butane;1-[(2S)-2-ethoxypropyl]-4-methoxybenzene;prop-1-ene
CID 142022793

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(2R)-2-methoxypropyl]benzene?
The IUPAC name of 1-methoxy-4-[(2R)-2-methoxypropyl]benzene (CID 138984863) is 1-methoxy-4-[(2R)-2-methoxypropyl]benzene.
What is the SMILES notation for 1-methoxy-4-[(2R)-2-methoxypropyl]benzene?
The canonical SMILES for 1-methoxy-4-[(2R)-2-methoxypropyl]benzene is COc1ccc(C[C@@H](C)OC)cc1.
What is the InChIKey of 1-methoxy-4-[(2R)-2-methoxypropyl]benzene?
The InChIKey is YHQFKQWLXKHBRM-SECBINFHSA-N. The full InChI is InChI=1S/C11H16O2/c1-9(12-2)8-10-4-6-11(13-3)7-5-10/h4-7,9H,8H2,1-3H3/t9-/m1/s1.
What are the key properties of 1-methoxy-4-[(2R)-2-methoxypropyl]benzene?
1-methoxy-4-[(2R)-2-methoxypropyl]benzene has a molecular weight of 180.25 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(2R)-2-methoxypropyl]benzene is sourced from PubChem (CID 138984863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).