[(1R,2S,5R,9S)-2-(4-hydroxyphenyl)-9-bicyclo[3.3.1]nonanyl]carbamic acid

C16H21NO3 — CID 68613704

IUPAC[(1R,2S,5R,9S)-2-(4-hydroxyphenyl)-9-bicyclo[3.3.1]nonanyl]carbamic acid
SMILESO=C(O)N[C@H]1[C@@H]2CCC[C@@H]1[C@@H](c1ccc(O)cc1)CC2
InChIInChI=1S/C16H21NO3/c18-12-7-4-10(5-8-12)13-9-6-11-2-1-3-14(13)15(11)17-16(19)20/h4-5,7-8,11,13-15,17-18H,1-3,6,9H2,(H,19,20)/t11-,13-,14-,15+/m1/s1
InChIKeyHBLRGUDEWAGGJX-NGFQHRJXSA-N
MW275.35 g/mol
LogP3.32
Rot. Bonds2

About [(1R,2S,5R,9S)-2-(4-hydroxyphenyl)-9-bicyclo[3.3.1]nonanyl]carbamic acid

[(1R,2S,5R,9S)-2-(4-hydroxyphenyl)-9-bicyclo[3.3.1]nonanyl]carbamic acid (PubChem CID 68613704) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is [(1R,2S,5R,9S)-2-(4-hydroxyphenyl)-9-bicyclo[3.3.1]nonanyl]carbamic acid.

Molecular Properties

Compound Name[(1R,2S,5R,9S)-2-(4-hydroxyphenyl)-9-bicyclo[3.3.1]nonanyl]carbamic acid
PubChem CID68613704
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name[(1R,2S,5R,9S)-2-(4-hydroxyphenyl)-9-bicyclo[3.3.1]nonanyl]carbamic acid
SMILESO=C(O)N[C@H]1[C@@H]2CCC[C@@H]1[C@@H](c1ccc(O)cc1)CC2
InChIInChI=1S/C16H21NO3/c18-12-7-4-10(5-8-12)13-9-6-11-2-1-3-14(13)15(11)17-16(19)20/h4-5,7-8,11,13-15,17-18H,1-3,6,9H2,(H,19,20)/t11-,13-,14-,15+/m1/s1
InChIKeyHBLRGUDEWAGGJX-NGFQHRJXSA-N
XLogP3.32
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-methylphenol;tricyclo[5.2.2.02,6]undecane
CID 122164942
2-phenylbicyclo[3.3.1]nonan-9-amine
CID 19875091
4-[(1S,2R)-2-hydroxycyclopentyl]phenol
CID 163763811
(1R)-2-(4-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 105437337
4-methylphenol;tricyclo[5.2.1.02,6]decane;1,4-xylene
CID 159970740
4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-8-ol
CID 66652150
4-(2-fluorocyclohexyl)phenol
CID 83855788
1-[4-[(4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]phenyl]propan-1-one
CID 22825751
3-(4-hydroxyphenyl)oxane-4-carboxylic acid
CID 84788544
(3-oxo-8-bicyclo[3.2.1]octanyl)carbamic acid
CID 156534278
4-(3-cyclopentylcyclopentyl)phenol
CID 57025920
4-[2-(difluoromethyl)cyclohexyl]phenol
CID 115035515

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,5R,9S)-2-(4-hydroxyphenyl)-9-bicyclo[3.3.1]nonanyl]carbamic acid?
The IUPAC name of [(1R,2S,5R,9S)-2-(4-hydroxyphenyl)-9-bicyclo[3.3.1]nonanyl]carbamic acid (CID 68613704) is [(1R,2S,5R,9S)-2-(4-hydroxyphenyl)-9-bicyclo[3.3.1]nonanyl]carbamic acid.
What is the SMILES notation for [(1R,2S,5R,9S)-2-(4-hydroxyphenyl)-9-bicyclo[3.3.1]nonanyl]carbamic acid?
The canonical SMILES for [(1R,2S,5R,9S)-2-(4-hydroxyphenyl)-9-bicyclo[3.3.1]nonanyl]carbamic acid is O=C(O)N[C@H]1[C@@H]2CCC[C@@H]1[C@@H](c1ccc(O)cc1)CC2.
What is the InChIKey of [(1R,2S,5R,9S)-2-(4-hydroxyphenyl)-9-bicyclo[3.3.1]nonanyl]carbamic acid?
The InChIKey is HBLRGUDEWAGGJX-NGFQHRJXSA-N. The full InChI is InChI=1S/C16H21NO3/c18-12-7-4-10(5-8-12)13-9-6-11-2-1-3-14(13)15(11)17-16(19)20/h4-5,7-8,11,13-15,17-18H,1-3,6,9H2,(H,19,20)/t11-,13-,14-,15+/m1/s1.
What are the key properties of [(1R,2S,5R,9S)-2-(4-hydroxyphenyl)-9-bicyclo[3.3.1]nonanyl]carbamic acid?
[(1R,2S,5R,9S)-2-(4-hydroxyphenyl)-9-bicyclo[3.3.1]nonanyl]carbamic acid has a molecular weight of 275.35 g/mol, XLogP of 3.32, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,5R,9S)-2-(4-hydroxyphenyl)-9-bicyclo[3.3.1]nonanyl]carbamic acid is sourced from PubChem (CID 68613704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).