[4-[(dimethylamino)methyl]-3-methoxy-2-propan-2-yloxyphenyl]methanol

C14H23NO3 — CID 23201168

IUPAC[4-[(dimethylamino)methyl]-3-methoxy-2-propan-2-yloxyphenyl]methanol
SMILESCOc1c(CN(C)C)ccc(CO)c1OC(C)C
InChIInChI=1S/C14H23NO3/c1-10(2)18-14-12(9-16)7-6-11(8-15(3)4)13(14)17-5/h6-7,10,16H,8-9H2,1-5H3
InChIKeyPKFMQIXYMDWUQV-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.04
Rot. Bonds6

About [4-[(dimethylamino)methyl]-3-methoxy-2-propan-2-yloxyphenyl]methanol

[4-[(dimethylamino)methyl]-3-methoxy-2-propan-2-yloxyphenyl]methanol (PubChem CID 23201168) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is [4-[(dimethylamino)methyl]-3-methoxy-2-propan-2-yloxyphenyl]methanol.

Molecular Properties

Compound Name[4-[(dimethylamino)methyl]-3-methoxy-2-propan-2-yloxyphenyl]methanol
PubChem CID23201168
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name[4-[(dimethylamino)methyl]-3-methoxy-2-propan-2-yloxyphenyl]methanol
SMILESCOc1c(CN(C)C)ccc(CO)c1OC(C)C
InChIInChI=1S/C14H23NO3/c1-10(2)18-14-12(9-16)7-6-11(8-15(3)4)13(14)17-5/h6-7,10,16H,8-9H2,1-5H3
InChIKeyPKFMQIXYMDWUQV-UHFFFAOYSA-N
XLogP2.04
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(dimethylamino)methyl]-3-methylsulfanyl-2-propan-2-yloxyphenyl]methanol
CID 23201178
(4-chloro-2,3-dimethoxyphenyl)methanol
CID 84671127
(4-bromo-2-fluoro-3-propan-2-yloxyphenyl)methanol
CID 164892261
(4-methoxy-2-propan-2-yloxyphenyl)methanol
CID 61267391
2-hydroxy-N-propan-2-yl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 24860184
4-(hydroxymethyl)-2,3-dimethoxybenzoic acid
CID 90442234
2-[(dimethylamino)methyl]-5-methoxyphenol
CID 18933640
4-[(dimethylamino)methyl]naphthalen-1-ol
CID 131860165
[3-(hydroxymethyl)-2-methoxy-4-methylphenyl]methanol
CID 91618259
2-[3-[(dimethylamino)methyl]-4-methoxyphenyl]propan-1-ol
CID 117320432
(5-bromo-4-propan-2-yloxy-3-pyridinyl)methanol
CID 164895693
[1,4-di(propan-2-yloxy)naphthalen-2-yl]methanol
CID 169273803

Frequently Asked Questions

What is the IUPAC name of [4-[(dimethylamino)methyl]-3-methoxy-2-propan-2-yloxyphenyl]methanol?
The IUPAC name of [4-[(dimethylamino)methyl]-3-methoxy-2-propan-2-yloxyphenyl]methanol (CID 23201168) is [4-[(dimethylamino)methyl]-3-methoxy-2-propan-2-yloxyphenyl]methanol.
What is the SMILES notation for [4-[(dimethylamino)methyl]-3-methoxy-2-propan-2-yloxyphenyl]methanol?
The canonical SMILES for [4-[(dimethylamino)methyl]-3-methoxy-2-propan-2-yloxyphenyl]methanol is COc1c(CN(C)C)ccc(CO)c1OC(C)C.
What is the InChIKey of [4-[(dimethylamino)methyl]-3-methoxy-2-propan-2-yloxyphenyl]methanol?
The InChIKey is PKFMQIXYMDWUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-10(2)18-14-12(9-16)7-6-11(8-15(3)4)13(14)17-5/h6-7,10,16H,8-9H2,1-5H3.
What are the key properties of [4-[(dimethylamino)methyl]-3-methoxy-2-propan-2-yloxyphenyl]methanol?
[4-[(dimethylamino)methyl]-3-methoxy-2-propan-2-yloxyphenyl]methanol has a molecular weight of 253.34 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(dimethylamino)methyl]-3-methoxy-2-propan-2-yloxyphenyl]methanol is sourced from PubChem (CID 23201168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).