1-methoxy-4-[[(4S)-4-propan-2-ylcyclohexen-1-yl]methoxymethyl]benzene

C18H26O2 — CID 10107418

IUPAC1-methoxy-4-[[(4S)-4-propan-2-ylcyclohexen-1-yl]methoxymethyl]benzene
SMILESCOc1ccc(COCC2=CC[C@@H](C(C)C)CC2)cc1
InChIInChI=1S/C18H26O2/c1-14(2)17-8-4-15(5-9-17)12-20-13-16-6-10-18(19-3)11-7-16/h4,6-7,10-11,14,17H,5,8-9,12-13H2,1-3H3/t17-/m1/s1
InChIKeyNVICMGGWQYPJQB-QGZVFWFLSA-N
MW274.40 g/mol
LogP4.59
Rot. Bonds6

About 1-methoxy-4-[[(4S)-4-propan-2-ylcyclohexen-1-yl]methoxymethyl]benzene

1-methoxy-4-[[(4S)-4-propan-2-ylcyclohexen-1-yl]methoxymethyl]benzene (PubChem CID 10107418) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 1-methoxy-4-[[(4S)-4-propan-2-ylcyclohexen-1-yl]methoxymethyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[[(4S)-4-propan-2-ylcyclohexen-1-yl]methoxymethyl]benzene
PubChem CID10107418
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name1-methoxy-4-[[(4S)-4-propan-2-ylcyclohexen-1-yl]methoxymethyl]benzene
SMILESCOc1ccc(COCC2=CC[C@@H](C(C)C)CC2)cc1
InChIInChI=1S/C18H26O2/c1-14(2)17-8-4-15(5-9-17)12-20-13-16-6-10-18(19-3)11-7-16/h4,6-7,10-11,14,17H,5,8-9,12-13H2,1-3H3/t17-/m1/s1
InChIKeyNVICMGGWQYPJQB-QGZVFWFLSA-N
XLogP4.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylpropyl)-4-[4-[[4-[4-(2-methylpropyl)phenyl]cyclohexen-1-yl]methoxymethyl]cyclohex-3-en-1-yl]benzene
CID 139803760
N-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62702803
1-methoxy-4-[[(2R)-2-methylpent-3-enoxy]methyl]benzene
CID 71377965
(4-methoxyphenyl)methyl 2-amino-2-cyclopropylacetate
CID 62695261
3-(4-methoxyphenyl)-1-(4-propan-2-ylcyclohexyl)propan-1-ol
CID 65445692
N-[(4-methoxyphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103560755
2-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 79422834
1-methoxy-4-[[(E)-4-[(4-methoxyphenyl)methoxy]but-2-enoxy]methyl]benzene
CID 14814212
1-(ethylsulfanylmethoxymethyl)-4-methoxybenzene
CID 101098323
2-[2-(4-propan-2-ylcyclohexen-1-yl)ethyl]-1,3-dioxolane
CID 162745472
1-(4-methoxyphenyl)-4-propan-2-ylcyclohexan-1-ol
CID 55105917
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8793180

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[[(4S)-4-propan-2-ylcyclohexen-1-yl]methoxymethyl]benzene?
The IUPAC name of 1-methoxy-4-[[(4S)-4-propan-2-ylcyclohexen-1-yl]methoxymethyl]benzene (CID 10107418) is 1-methoxy-4-[[(4S)-4-propan-2-ylcyclohexen-1-yl]methoxymethyl]benzene.
What is the SMILES notation for 1-methoxy-4-[[(4S)-4-propan-2-ylcyclohexen-1-yl]methoxymethyl]benzene?
The canonical SMILES for 1-methoxy-4-[[(4S)-4-propan-2-ylcyclohexen-1-yl]methoxymethyl]benzene is COc1ccc(COCC2=CC[C@@H](C(C)C)CC2)cc1.
What is the InChIKey of 1-methoxy-4-[[(4S)-4-propan-2-ylcyclohexen-1-yl]methoxymethyl]benzene?
The InChIKey is NVICMGGWQYPJQB-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H26O2/c1-14(2)17-8-4-15(5-9-17)12-20-13-16-6-10-18(19-3)11-7-16/h4,6-7,10-11,14,17H,5,8-9,12-13H2,1-3H3/t17-/m1/s1.
What are the key properties of 1-methoxy-4-[[(4S)-4-propan-2-ylcyclohexen-1-yl]methoxymethyl]benzene?
1-methoxy-4-[[(4S)-4-propan-2-ylcyclohexen-1-yl]methoxymethyl]benzene has a molecular weight of 274.40 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[[(4S)-4-propan-2-ylcyclohexen-1-yl]methoxymethyl]benzene is sourced from PubChem (CID 10107418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).